 Entering Gaussian System, Link 0=g16
 Input=02_dimethylenespyropentane_STD_M11-augccpVDZr.in
 Output=02_dimethylenespyropentane_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/02_dimethylenespyropentane_STD/Gau-20925.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/02_dimethylenespyropentane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     20926.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=02_dimethylenespyropentane_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "02_dimethylenespyropentane_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.990052000000      0.908560000000      1.004401000000
  C                                                -0.000001000000      0.353124000000      0.000001000000
  C                                                 1.353354000000     -0.135911000000      0.027075000000
  C                                                 2.271045000000     -0.944010000000     -0.460952000000
  C                                                -0.990057000000      0.908584000000     -1.004381000000
  C                                                -1.353358000000     -0.135911000000     -0.027085000000
  C                                                -2.271038000000     -0.944025000000      0.460937000000
  H                                                -1.356942000000      1.917200000000     -0.842556000000
  H                                                -0.864204000000      0.629254000000     -2.045363000000
  H                                                 1.356934000000      1.917181000000      0.842602000000
  H                                                 0.864199000000      0.629198000000      2.045374000000
  H                                                 2.047716000000     -1.619089000000     -1.278071000000
  H                                                 3.277396000000     -0.958534000000     -0.060790000000
  H                                                -3.277391000000     -0.958559000000      0.060781000000
  H                                                -2.047691000000     -1.619115000000      1.278043000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     15 NQM=       15 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15
 IAtWgt=           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515762   0.000000
     3  C    1.475830   1.439256   0.000000
     4  C    2.687046   2.655689   1.316568   0.000000
     5  C    2.820645   1.515761   2.765221   3.789750   0.000000
     6  C    2.765222   1.439258   2.707254   3.738658   1.475827
     7  C    3.789740   2.655686   3.738650   4.634695   2.687048
     8  H    3.152298   2.235514   3.509591   4.636209   1.085402
     9  H    3.580131   2.237545   3.130182   3.849065   1.085130
    10  H    1.085402   2.235514   2.209136   3.274334   3.152298
    11  H    1.085130   2.237545   2.213187   3.276564   3.580130
    12  H    3.566138   3.117088   2.094126   1.083186   3.961326
    13  H    3.138887   3.530648   2.094365   1.083090   4.752646
    14  H    4.752644   3.530650   4.703370   5.572931   3.138899
    15  H    3.961301   3.117074   3.915600   4.704397   3.566134
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.316568   0.000000
     8  H    2.209133   3.274336   0.000000
     9  H    2.213187   3.276573   1.829847   0.000000
    10  H    3.509590   4.636200   3.194508   3.864266   0.000000
    11  H    3.130182   3.849050   3.864267   4.440890   1.829849
    12  H    3.915621   4.704412   4.928155   3.758066   4.180866
    13  H    4.703374   5.572928   5.509818   4.859264   3.574077
    14  H    2.094367   1.083089   3.574092   3.574978   5.509818
    15  H    2.094123   1.083186   4.180861   4.183400   4.928130
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.183395   0.000000
    13  H    3.574960   1.852085   0.000000
    14  H    4.859254   5.530424   6.555914   0.000000
    15  H    3.758033   4.827637   5.530406   1.852086   0.000000
 Stoichiometry    C7H8
 Framework group  C1[X(C7H8)]
 Deg. of freedom    39
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.95D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.990052    0.908560    1.004401
      2          6           0       -0.000001    0.353124    0.000001
      3          6           0        1.353354   -0.135911    0.027075
      4          6           0        2.271045   -0.944010   -0.460952
      5          6           0       -0.990057    0.908584   -1.004381
      6          6           0       -1.353358   -0.135911   -0.027085
      7          6           0       -2.271038   -0.944025    0.460937
      8          1           0       -1.356942    1.917200   -0.842556
      9          1           0       -0.864204    0.629254   -2.045363
     10          1           0        1.356934    1.917181    0.842602
     11          1           0        0.864199    0.629198    2.045374
     12          1           0        2.047716   -1.619089   -1.278071
     13          1           0        3.277396   -0.958534   -0.060790
     14          1           0       -3.277391   -0.958559    0.060781
     15          1           0       -2.047691   -1.619115    1.278043
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.0050458           1.8781974           1.7728373
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14     15
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 260 were deleted.
 There are   247 symmetry adapted cartesian basis functions of A   symmetry.
 There are   233 symmetry adapted basis functions of A   symmetry.
   233 basis functions,   425 primitive gaussians,   247 cartesian basis functions
    25 alpha electrons       25 beta electrons
       nuclear repulsion energy       262.3876293527 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   15 NActive=   15 NUniq=   15 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:22:31 2021, MaxMem= 10737418240 cpu:              33.4 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   233 RedAO= T EigKep=  1.52D-05  NBF=   233
 NBsUse=   233 1.00D-06 EigRej= -1.00D+00 NBFU=   233
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   247   247   247   247   247 MxSgAt=    15 MxSgA2=    15.
 Leave Link  302 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:               5.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "02_dimethylenespyropentane_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:33 2021, MaxMem= 10737418240 cpu:               4.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737289815 LenY= 10737228365
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -271.246417605186    
 DIIS: error= 4.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -271.246417605186     IErMin= 1 ErrMin= 4.13D-03
 ErrMax= 4.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-03 BMatP= 6.78D-03
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 GapD=    0.418 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.90D-02 MaxDP=7.78D-01              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.76D-02    CP:  1.26D+00
 E= -271.253396079844     Delta-E=       -0.006978474658 Rises=F Damp=F
 DIIS: error= 5.28D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -271.253396079844     IErMin= 2 ErrMin= 5.28D-04
 ErrMax= 5.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 6.78D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.28D-03
 Coeff-Com: -0.724D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.720D-01 0.107D+01
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=3.00D-03 MaxDP=1.59D-01 DE=-6.98D-03 OVMax= 4.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.22D-03    CP:  1.29D+00  1.15D+00
 E= -271.253592007633     Delta-E=       -0.000195927789 Rises=F Damp=F
 DIIS: error= 4.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -271.253592007633     IErMin= 3 ErrMin= 4.35D-04
 ErrMax= 4.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.15D-05 BMatP= 1.34D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.35D-03
 Coeff-Com: -0.356D-01 0.371D+00 0.665D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.354D-01 0.369D+00 0.666D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.64D-04 MaxDP=1.35D-02 DE=-1.96D-04 OVMax= 2.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.29D+00  1.16D+00  1.09D+00
 E= -271.253632329932     Delta-E=       -0.000040322299 Rises=F Damp=F
 DIIS: error= 1.55D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -271.253632329932     IErMin= 4 ErrMin= 1.55D-04
 ErrMax= 1.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.32D-06 BMatP= 4.15D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.55D-03
 Coeff-Com: -0.231D-02-0.424D-01 0.269D+00 0.776D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.231D-02-0.423D-01 0.268D+00 0.776D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=9.35D-05 MaxDP=3.65D-03 DE=-4.03D-05 OVMax= 8.26D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.36D-05    CP:  1.30D+00  1.16D+00  1.14D+00  1.03D+00
 E= -271.253640591652     Delta-E=       -0.000008261720 Rises=F Damp=F
 DIIS: error= 2.87D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -271.253640591652     IErMin= 5 ErrMin= 2.87D-05
 ErrMax= 2.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-07 BMatP= 7.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-02-0.448D-01 0.295D-01 0.221D+00 0.792D+00
 Coeff:      0.230D-02-0.448D-01 0.295D-01 0.221D+00 0.792D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.63D-05 MaxDP=9.36D-04 DE=-8.26D-06 OVMax= 2.60D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.66D-05    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.17D+00
 E= -271.253641049483     Delta-E=       -0.000000457832 Rises=F Damp=F
 DIIS: error= 6.34D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -271.253641049483     IErMin= 6 ErrMin= 6.34D-06
 ErrMax= 6.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-08 BMatP= 3.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-03 0.512D-03-0.178D-01-0.485D-01 0.699D-01 0.995D+00
 Coeff:      0.324D-03 0.512D-03-0.178D-01-0.485D-01 0.699D-01 0.995D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=8.80D-06 MaxDP=4.13D-04 DE=-4.58D-07 OVMax= 6.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.15D-06    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.23D+00
                    CP:  1.18D+00
 E= -271.253641079939     Delta-E=       -0.000000030455 Rises=F Damp=F
 DIIS: error= 1.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -271.253641079939     IErMin= 7 ErrMin= 1.72D-06
 ErrMax= 1.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-09 BMatP= 1.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-04 0.254D-02-0.637D-02-0.244D-01-0.215D-01 0.241D+00
 Coeff-Com:  0.808D+00
 Coeff:     -0.380D-04 0.254D-02-0.637D-02-0.244D-01-0.215D-01 0.241D+00
 Coeff:      0.808D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.58D-06 MaxDP=5.50D-05 DE=-3.05D-08 OVMax= 1.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.82D-07    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.24D+00
                    CP:  1.22D+00  1.18D+00
 E= -271.253641082206     Delta-E=       -0.000000002268 Rises=F Damp=F
 DIIS: error= 6.16D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -271.253641082206     IErMin= 8 ErrMin= 6.16D-07
 ErrMax= 6.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-10 BMatP= 1.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.478D-04 0.454D-03 0.791D-03 0.813D-03-0.131D-01-0.859D-01
 Coeff-Com:  0.205D+00 0.892D+00
 Coeff:     -0.478D-04 0.454D-03 0.791D-03 0.813D-03-0.131D-01-0.859D-01
 Coeff:      0.205D+00 0.892D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=6.42D-07 MaxDP=1.58D-05 DE=-2.27D-09 OVMax= 6.83D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.18D-07    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.24D+00
                    CP:  1.23D+00  1.28D+00  1.09D+00
 E= -271.253641082537     Delta-E=       -0.000000000331 Rises=F Damp=F
 DIIS: error= 1.24D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -271.253641082537     IErMin= 9 ErrMin= 1.24D-07
 ErrMax= 1.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-12 BMatP= 1.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.743D-05-0.183D-03 0.275D-03 0.112D-02 0.320D-02-0.465D-02
 Coeff-Com: -0.605D-01-0.113D+00 0.117D+01
 Coeff:      0.743D-05-0.183D-03 0.275D-03 0.112D-02 0.320D-02-0.465D-02
 Coeff:     -0.605D-01-0.113D+00 0.117D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.31D-07 MaxDP=1.10D-05 DE=-3.31D-10 OVMax= 1.96D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.04D-08    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.24D+00
                    CP:  1.23D+00  1.30D+00  1.14D+00  1.25D+00
 E= -271.253641082566     Delta-E=       -0.000000000029 Rises=F Damp=F
 DIIS: error= 3.51D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -271.253641082566     IErMin=10 ErrMin= 3.51D-08
 ErrMax= 3.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-13 BMatP= 3.91D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-05-0.128D-04-0.156D-04-0.655D-04 0.391D-03 0.261D-02
 Coeff-Com: -0.436D-02-0.301D-01-0.191D-01 0.105D+01
 Coeff:      0.139D-05-0.128D-04-0.156D-04-0.655D-04 0.391D-03 0.261D-02
 Coeff:     -0.436D-02-0.301D-01-0.191D-01 0.105D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=2.61D-08 MaxDP=8.14D-07 DE=-2.89D-11 OVMax= 5.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.68D-08    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.24D+00
                    CP:  1.23D+00  1.30D+00  1.14D+00  1.28D+00  1.21D+00
 E= -271.253641082555     Delta-E=        0.000000000011 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -271.253641082566     IErMin=11 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.93D-14 BMatP= 2.20D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.464D-06 0.179D-04-0.352D-04-0.160D-03-0.224D-03 0.151D-02
 Coeff-Com:  0.569D-02 0.158D-02-0.139D+00 0.335D+00 0.796D+00
 Coeff:     -0.464D-06 0.179D-04-0.352D-04-0.160D-03-0.224D-03 0.151D-02
 Coeff:      0.569D-02 0.158D-02-0.139D+00 0.335D+00 0.796D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=5.55D-07 DE= 1.13D-11 OVMax= 1.59D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.55D-09    CP:  1.29D+00  1.16D+00  1.14D+00  1.09D+00  1.24D+00
                    CP:  1.23D+00  1.30D+00  1.14D+00  1.28D+00  1.27D+00
                    CP:  1.29D+00
 E= -271.253641082565     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 4.22D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -271.253641082566     IErMin=12 ErrMin= 4.22D-09
 ErrMax= 4.22D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-15 BMatP= 5.93D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-06 0.382D-05-0.211D-05-0.144D-04-0.775D-04-0.149D-03
 Coeff-Com:  0.128D-02 0.353D-02-0.132D-01-0.833D-01 0.956D-01 0.996D+00
 Coeff:     -0.228D-06 0.382D-05-0.211D-05-0.144D-04-0.775D-04-0.149D-03
 Coeff:      0.128D-02 0.353D-02-0.132D-01-0.833D-01 0.956D-01 0.996D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=3.95D-09 MaxDP=1.87D-07 DE=-1.01D-11 OVMax= 8.05D-08

 SCF Done:  E(RM11) =  -271.253641083     A.U. after   12 cycles
            NFock= 12  Conv=0.40D-08     -V/T= 2.0064
 KE= 2.695297493696D+02 PE=-1.152691407796D+03 EE= 3.495203879914D+02
 Leave Link  502 at Thu Jul  8 19:23:44 2021, MaxMem= 10737418240 cpu:            1127.7 elap:              70.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   233
 NBasis=   233 NAE=    25 NBE=    25 NFC=     0 NFV=     0
 NROrb=    233 NOA=    25 NOB=    25 NVA=   208 NVB=   208

 **** Warning!!: The largest alpha MO coefficient is  0.82872933D+02

 Leave Link  801 at Thu Jul  8 19:23:45 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4632 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          15
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.67D-14 8.33D-09 XBig12= 1.00D+00 2.93D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.67D-14 8.33D-09 XBig12= 1.41D-01 6.23D-02.
     11 vectors produced by pass  2 Test12= 8.67D-14 8.33D-09 XBig12= 2.29D-02 3.30D-02.
     11 vectors produced by pass  3 Test12= 8.67D-14 8.33D-09 XBig12= 2.42D-03 7.43D-03.
     11 vectors produced by pass  4 Test12= 8.67D-14 8.33D-09 XBig12= 1.06D-04 1.33D-03.
     11 vectors produced by pass  5 Test12= 8.67D-14 8.33D-09 XBig12= 3.60D-06 3.72D-04.
     11 vectors produced by pass  6 Test12= 8.67D-14 8.33D-09 XBig12= 1.06D-07 5.18D-05.
     11 vectors produced by pass  7 Test12= 8.67D-14 8.33D-09 XBig12= 2.04D-09 7.38D-06.
     11 vectors produced by pass  8 Test12= 8.67D-14 8.33D-09 XBig12= 3.50D-11 1.12D-06.
      9 vectors produced by pass  9 Test12= 8.67D-14 8.33D-09 XBig12= 7.52D-13 1.98D-07.
      4 vectors produced by pass 10 Test12= 8.67D-14 8.33D-09 XBig12= 1.56D-14 3.04D-08.
      1 vectors produced by pass 11 Test12= 8.67D-14 8.33D-09 XBig12= 4.18D-15 1.14D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.118743D+03
      2  0.000000D+00  0.833522D+02
      3 -0.470914D+01 -0.233342D-04  0.760700D+02
 Isotropic polarizability for W=    0.085645       92.72 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.108513D-02 -0.774096D+02 -0.900591D-03
      2  -0.157426D-02  0.275763D+02  0.263872D-03
      3   0.489131D-03  0.498333D+02  0.636719D-03
      4  -0.110447D+03 -0.144017D-02  0.597696D+02
      5  -0.948800D-03  0.610538D+02  0.119509D-02
      6   0.409105D+02 -0.900874D-04  0.378708D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.538987D+01 -0.927463D-04  0.462389D+01
      2   0.422469D-04  0.191213D+02  0.249657D-03
      3   0.342316D+02  0.391963D-03 -0.150127D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.128417D+01 -0.353959D-03  0.460462D+02
      2   0.482097D-04  0.188591D+02  0.705962D-03
      3  -0.330378D+02 -0.134092D-03 -0.201433D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.237536D+01 -0.255938D-04 -0.808782D+01
      2  -0.255938D-04 -0.548649D+01 -0.889212D-04
      3  -0.808782D+01 -0.889212D-04  0.182989D+01
 OR G Eigenvalues:    -5.9898    -5.4865    10.1950  Iso=     0.4271
 Eigenvectors:
   (1)   0.695089   0.000162   0.718924
   (2)  -0.000115   1.000000  -0.000115
   (3)   0.718924   0.000003  -0.695089
 w=    0.085645 a.u., Optical Rotation Beta=      0.4271 au.
 Molar Mass =     92.1402 grams/mole, [Alpha] ( 5320.0 A) =      219.83 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   27261 ScalPx= 9.85D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.93D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.44D-14 2.78D-09 XBig12= 1.00D+00 4.81D-01.
     30 vectors produced by pass  1 Test12= 1.44D-14 2.78D-09 XBig12= 4.28D-02 4.00D-02.
     30 vectors produced by pass  2 Test12= 1.44D-14 2.78D-09 XBig12= 1.04D-03 6.06D-03.
     30 vectors produced by pass  3 Test12= 1.44D-14 2.78D-09 XBig12= 1.76D-05 6.71D-04.
     30 vectors produced by pass  4 Test12= 1.44D-14 2.78D-09 XBig12= 2.44D-07 8.22D-05.
     30 vectors produced by pass  5 Test12= 1.44D-14 2.78D-09 XBig12= 2.61D-09 6.38D-06.
     30 vectors produced by pass  6 Test12= 1.44D-14 2.78D-09 XBig12= 2.58D-11 6.62D-07.
     30 vectors produced by pass  7 Test12= 1.44D-14 2.78D-09 XBig12= 2.11D-13 5.34D-08.
      4 vectors produced by pass  8 Test12= 1.44D-14 2.78D-09 XBig12= 1.57D-15 4.08D-09.
      2 vectors produced by pass  9 Test12= 1.44D-14 2.78D-09 XBig12= 1.21D-15 5.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   246 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 2.83D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   27261 ScalPx= 2.83D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   27261 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118743D+03  0.000000D+00 -0.470914D+01
      2   0.000000D+00  0.833522D+02 -0.233342D-04
      3  -0.470914D+01 -0.233342D-04  0.760700D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.538987D+01 -0.927463D-04  0.462389D+01
      2   0.422469D-04  0.191213D+02  0.249657D-03
      3   0.342316D+02  0.391963D-03 -0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.108513D-02 -0.774096D+02 -0.900591D-03
      2  -0.157426D-02  0.275763D+02  0.263872D-03
      3   0.489131D-03  0.498333D+02  0.636719D-03
      4  -0.110447D+03 -0.144017D-02  0.597696D+02
      5  -0.948800D-03  0.610538D+02  0.119509D-02
      6   0.409105D+02 -0.900874D-04  0.378708D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106937D+02  0.424674D+01  0.578287D+01 -0.269620D+01 -0.140666D+01
      2   0.424674D+01 -0.260997D+01  0.303199D+00 -0.140666D+01 -0.457022D+01
      3   0.578287D+01  0.303199D+00  0.194494D+01  0.107708D+00  0.594198D-01
                 6             7             8             9            10 
      1   0.107708D+00  0.353862D+01  0.302089D+01  0.244543D+01  0.674450D-03
      2   0.594198D-01  0.302089D+01  0.205481D+01  0.698315D+00 -0.110141D+02
      3   0.255378D+01  0.244543D+01  0.698315D+00 -0.484628D+01 -0.114198D-03
                11            12            13            14            15 
      1  -0.110141D+02 -0.114198D-03 -0.830546D+01  0.160794D-03 -0.485533D+01
      2   0.640908D-04 -0.120868D+01  0.160794D-03 -0.147819D+01  0.880078D-05
      3  -0.120868D+01  0.121461D-04 -0.485533D+01  0.880078D-05 -0.130315D+01
                16            17            18            19            20 
      1  -0.131680D-03 -0.709236D+01 -0.128808D-03 -0.124956D+02  0.788810D+01
      2  -0.709236D+01  0.133729D-05 -0.154176D+01  0.788810D+01 -0.640077D+01
      3  -0.128808D-03 -0.154176D+01 -0.106822D-03  0.380954D+01 -0.295159D+00
                21            22            23            24            25 
      1   0.380954D+01  0.145252D+02 -0.533214D+01 -0.495987D+00  0.117201D+02
      2  -0.295159D+00 -0.533214D+01  0.725794D+01 -0.377182D+00 -0.687744D+00
      3  -0.376808D+01 -0.495987D+00 -0.377182D+00  0.136962D+01 -0.158414D+01
                26            27            28            29            30 
      1  -0.687744D+00 -0.158414D+01  0.633835D+01 -0.428368D+01 -0.747943D+01
      2   0.951989D+00  0.322006D+00 -0.428368D+01  0.521817D+01  0.832162D+00
      3   0.322006D+00  0.274304D+01 -0.747943D+01  0.832162D+00  0.464795D+01
                31            32            33            34            35 
      1  -0.799085D+01  0.831090D+01 -0.916165D+00 -0.123882D+02  0.128177D+00
      2   0.831090D+01 -0.935492D+01  0.259155D+01  0.128177D+00  0.253162D+01
      3  -0.916165D+00  0.259155D+01  0.115146D+01  0.582923D+01  0.987123D+00
                36            37            38            39            40 
      1   0.582923D+01 -0.106938D+02  0.424685D+01 -0.578276D+01 -0.269616D+01
      2   0.987123D+00  0.424685D+01  0.260997D+01  0.303327D+00  0.140658D+01
      3  -0.264956D+01 -0.578276D+01  0.303327D+00 -0.194498D+01  0.107812D+00
                41            42            43            44            45 
      1   0.140658D+01  0.107812D+00 -0.353858D+01  0.302105D+01 -0.244543D+01
      2  -0.457027D+01 -0.595150D-01  0.302105D+01 -0.205489D+01  0.697993D+00
      3  -0.595150D-01  0.255354D+01 -0.244543D+01  0.697993D+00  0.484663D+01
                46            47            48            49            50 
      1   0.124945D+02  0.788803D+01 -0.380940D+01  0.145252D+02  0.533212D+01
      2   0.788803D+01  0.640072D+01 -0.295171D+00  0.533212D+01  0.725808D+01
      3  -0.380940D+01 -0.295171D+00  0.376804D+01 -0.496021D+00  0.377140D+00
                51            52            53            54            55 
      1  -0.496021D+00 -0.117199D+02 -0.687747D+00  0.158421D+01 -0.633780D+01
      2   0.377140D+00 -0.687747D+00 -0.952021D+00  0.322181D+00 -0.428367D+01
      3   0.136979D+01  0.158421D+01  0.322181D+00 -0.274322D+01  0.747935D+01
                56            57            58            59            60 
      1  -0.428367D+01  0.747935D+01 -0.799080D+01 -0.831084D+01 -0.916050D+00
      2  -0.521817D+01  0.832295D+00 -0.831084D+01 -0.935486D+01 -0.259168D+01
      3   0.832295D+00 -0.464800D+01 -0.916050D+00 -0.259168D+01  0.115127D+01
                61            62            63            64            65 
      1   0.123881D+02  0.128288D+00 -0.582934D+01 -0.113141D+01  0.170385D+01
      2   0.128288D+00 -0.253175D+01  0.986911D+00  0.170385D+01 -0.316867D+01
      3  -0.582934D+01  0.986911D+00  0.264974D+01  0.846218D-01  0.791280D+00
                66            67            68            69            70 
      1   0.846218D-01  0.377893D+01 -0.323041D+01  0.832438D+00  0.153798D+01
      2   0.791280D+00 -0.323041D+01  0.109678D+02 -0.223743D+01 -0.382181D+00
      3  -0.746613D+00  0.832438D+00 -0.223743D+01  0.164303D+01 -0.476660D+00
                71            72            73            74            75 
      1  -0.382181D+00 -0.476660D+00  0.105828D+01 -0.100740D+00 -0.494510D+00
      2   0.826338D+00  0.132297D+01 -0.100740D+00 -0.414862D+00 -0.782164D-01
      3   0.132297D+01 -0.125884D+01 -0.494510D+00 -0.782164D-01  0.110764D+01
                76            77            78            79            80 
      1  -0.648917D+00 -0.545590D+00  0.371033D-01 -0.204484D+01 -0.309646D+00
      2  -0.545590D+00  0.665508D+00 -0.123604D+01 -0.309646D+00 -0.177498D+01
      3   0.371033D-01 -0.123604D+01 -0.187196D+01 -0.808634D+00  0.170091D+01
                81            82            83            84            85 
      1  -0.808634D+00  0.113138D+01  0.170382D+01 -0.845910D-01  0.377895D+01
      2   0.170091D+01  0.170382D+01  0.316859D+01  0.791328D+00  0.323037D+01
      3  -0.115156D+02 -0.845910D-01  0.791328D+00  0.746641D+00  0.832497D+00
                86            87            88            89            90 
      1   0.323037D+01  0.832497D+00 -0.153787D+01 -0.382088D+00  0.476679D+00
      2   0.109677D+02  0.223760D+01 -0.382088D+00 -0.826103D+00  0.132298D+01
      3   0.223760D+01  0.164310D+01  0.476679D+00  0.132298D+01  0.125892D+01
                91            92            93            94            95 
      1  -0.105826D+01 -0.100763D+00  0.494499D+00 -0.648945D+00  0.545600D+00
      2  -0.100763D+00  0.414876D+00 -0.781716D-01  0.545600D+00  0.665370D+00
      3   0.494499D+00 -0.781716D-01 -0.110762D+01  0.370942D-01  0.123606D+01
                96            97            98            99           100 
      1   0.370942D-01  0.204483D+01 -0.309647D+00  0.808623D+00  0.219471D+01
      2   0.123606D+01 -0.309647D+00  0.177490D+01  0.170064D+01 -0.126157D+01
      3  -0.187223D+01  0.808623D+00  0.170064D+01  0.115155D+02 -0.357006D+00
               101           102           103           104           105 
      1  -0.126157D+01 -0.357006D+00 -0.189808D+01  0.130680D+01  0.159397D+01
      2  -0.368226D+00 -0.736704D+00  0.130680D+01 -0.380757D+01 -0.337151D+01
      3  -0.736704D+00 -0.125436D+01  0.159397D+01 -0.337151D+01 -0.380176D+01
               106           107           108           109           110 
      1  -0.783769D+00  0.141910D+01  0.101348D+01  0.136139D+02 -0.268560D+01
      2   0.141910D+01 -0.436530D+01 -0.368266D+01 -0.268560D+01  0.169595D+01
      3   0.101348D+01 -0.368266D+01 -0.456169D+01  0.160354D+01 -0.212340D+00
               111           112           113           114           115 
      1   0.160354D+01 -0.917364D+00  0.131106D+01  0.126853D+01  0.481007D+01
      2  -0.212340D+00  0.131106D+01 -0.419215D+00 -0.543732D+00  0.357457D+00
      3   0.117187D+01  0.126853D+01 -0.543732D+00 -0.392404D+00  0.153400D+01
               116           117           118           119           120 
      1   0.357457D+00  0.153400D+01 -0.136139D+02 -0.268569D+01 -0.160358D+01
      2  -0.587799D+00 -0.577519D+00 -0.268569D+01 -0.169598D+01 -0.212373D+00
      3  -0.577519D+00  0.556819D+00 -0.160358D+01 -0.212373D+00 -0.117185D+01
               121           122           123           124           125 
      1  -0.917479D+00 -0.131115D+01  0.126850D+01 -0.481012D+01  0.357398D+00
      2  -0.131115D+01 -0.419305D+00  0.543748D+00  0.357398D+00  0.587807D+00
      3   0.126850D+01  0.543748D+00 -0.392415D+00 -0.153395D+01 -0.577501D+00
               126           127           128           129           130 
      1  -0.153395D+01 -0.219467D+01 -0.126156D+01  0.356978D+00 -0.189806D+01
      2  -0.577501D+00 -0.126156D+01  0.368319D+00 -0.736780D+00 -0.130682D+01
      3  -0.556840D+00  0.356978D+00 -0.736780D+00  0.125441D+01  0.159390D+01
               131           132           133           134           135 
      1  -0.130682D+01  0.159390D+01  0.783754D+00  0.141906D+01 -0.101337D+01
      2  -0.380776D+01  0.337156D+01  0.141906D+01  0.436538D+01 -0.368259D+01
      3   0.337156D+01 -0.380169D+01 -0.101337D+01 -0.368259D+01  0.456148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.145338D+01 -0.416798D+01 -0.387907D+01 -0.568545D+00 -0.115791D+02
      2   0.120175D+01 -0.171384D+00  0.259671D+01 -0.520220D+01  0.721627D+01
      3   0.380346D+01  0.407736D+01  0.551657D+01  0.660341D+01  0.324521D+01
                 6             7             8             9            10 
      1  -0.966730D+01 -0.241376D+01  0.887687D+01  0.129633D+02 -0.186876D-03
      2   0.592737D+01 -0.244815D+01 -0.113214D+01 -0.969560D+01  0.651676D+01
      3   0.472800D+00  0.406628D+01 -0.155824D+01 -0.111991D+01  0.507058D-03
                11            12            13            14            15 
      1   0.446996D+00  0.165507D-04 -0.109948D+02  0.318439D-04 -0.269380D+01
      2  -0.179754D-04  0.115305D+02  0.000000D+00 -0.394753D+01 -0.619000D-04
      3  -0.193626D+02 -0.999945D-05  0.196381D+02  0.800080D-04 -0.870055D+00
                16            17            18            19            20 
      1  -0.150340D-03  0.707577D+00  0.720562D-05 -0.350768D+00  0.412846D+01
      2  -0.241089D+02 -0.152522D-03  0.246377D+01  0.235257D+01  0.311443D+01
      3  -0.218457D-04 -0.418193D+01 -0.181891D-05  0.971172D+00  0.955948D+01
                21            22            23            24            25 
      1  -0.681817D+01  0.303565D+01 -0.888317D+01 -0.747584D+00 -0.102196D+02
      2  -0.667769D+01 -0.337894D+00 -0.426730D+01  0.473824D+01 -0.176938D+02
      3  -0.773766D+01  0.210918D+02 -0.203745D+02  0.339112D+01  0.158476D+00
                26            27            28            29            30 
      1   0.501402D+01  0.551381D+01 -0.656396D+01 -0.388575D+01  0.631076D+01
      2   0.217075D+01  0.602489D+01 -0.173980D+02  0.483928D+01  0.123197D+02
      3  -0.196246D-01  0.610797D+01  0.109765D+02 -0.158219D+02  0.105531D+01
                31            32            33            34            35 
      1  -0.268199D+01  0.362050D+01 -0.381890D+01  0.221698D+01  0.447868D+01
      2  -0.259047D+01  0.988696D+01  0.282390D+01  0.201791D+01  0.766496D+01
      3  -0.979085D+01  0.166703D+02 -0.976112D+01  0.803438D+01 -0.717197D+01
                36            37            38            39            40 
      1   0.108120D+01 -0.145338D+01 -0.416816D+01  0.387899D+01 -0.568707D+00
      2  -0.441590D+01  0.120166D+01  0.171149D+00  0.259689D+01  0.520187D+01
      3  -0.932347D+01 -0.380350D+01  0.407763D+01 -0.551642D+01  0.660360D+01
                41            42            43            44            45 
      1   0.115791D+02 -0.966662D+01  0.241366D+01  0.887761D+01 -0.129635D+02
      2   0.721636D+01 -0.592687D+01 -0.244770D+01  0.113295D+01 -0.969618D+01
      3  -0.324511D+01  0.472612D+00 -0.406610D+01 -0.155827D+01  0.111954D+01
                46            47            48            49            50 
      1   0.351086D+00  0.412824D+01  0.681822D+01  0.303552D+01  0.888319D+01
      2   0.235281D+01 -0.311410D+01 -0.667786D+01  0.338335D+00 -0.426714D+01
      3  -0.971778D+00  0.955893D+01  0.773755D+01  0.210916D+02  0.203742D+02
                51            52            53            54            55 
      1  -0.747268D+00  0.102197D+02  0.501432D+01 -0.551375D+01  0.656385D+01
      2  -0.473866D+01 -0.176942D+02 -0.217122D+01  0.602527D+01 -0.173980D+02
      3   0.339145D+01 -0.158494D+00 -0.191736D-01 -0.610776D+01 -0.109764D+02
                56            57            58            59            60 
      1  -0.388551D+01 -0.631088D+01 -0.268179D+01 -0.362057D+01 -0.381900D+01
      2  -0.483984D+01  0.123199D+02  0.258999D+01  0.988706D+01 -0.282348D+01
      3  -0.158219D+02 -0.105498D+01 -0.979065D+01 -0.166698D+02 -0.976160D+01
                61            62            63            64            65 
      1  -0.221709D+01  0.447869D+01 -0.108105D+01 -0.189170D+01  0.382440D+01
      2   0.201857D+01 -0.766446D+01 -0.441666D+01 -0.296787D+01  0.125239D+01
      3  -0.803425D+01 -0.717255D+01  0.932318D+01  0.180033D+01 -0.340682D+01
                66            67            68            69            70 
      1  -0.519991D+00  0.279670D+01 -0.122118D+02 -0.166596D+01  0.275645D+00
      2   0.143845D+01  0.213152D+01 -0.139678D+01 -0.148650D+01  0.539512D-01
      3   0.101730D+01  0.285683D+01  0.908854D+01 -0.212369D+01  0.961374D+00
                71            72            73            74            75 
      1  -0.232313D+01  0.338284D+00  0.155613D+01 -0.470141D+00 -0.120955D+01
      2  -0.220540D+01  0.142051D+01  0.300458D+01 -0.602434D+00 -0.600086D+00
      3   0.373210D+00  0.988340D+00 -0.101676D+01 -0.175996D+01  0.134712D+00
                76            77            78            79            80 
      1   0.175113D+00  0.135011D-01  0.362434D+01  0.617096D+00  0.237546D+01
      2  -0.995221D+00  0.102708D+01  0.318251D+01 -0.417846D+01 -0.264587D+01
      3  -0.564901D+00  0.334355D-01 -0.169855D+01 -0.300086D+01 -0.194720D+01
                81            82            83            84            85 
      1   0.126043D+02  0.189167D+01  0.382432D+01  0.520078D+00  0.279664D+01
      2   0.138453D+02 -0.296778D+01 -0.125231D+01  0.143843D+01 -0.213151D+01
      3   0.133873D+00 -0.180034D+01 -0.340679D+01 -0.101734D+01  0.285688D+01
                86            87            88            89            90 
      1   0.122119D+02 -0.166569D+01 -0.275585D+00 -0.232278D+01 -0.338379D+00
      2  -0.139662D+01  0.148648D+01  0.539318D-01  0.220529D+01  0.142058D+01
      3  -0.908844D+01 -0.212382D+01 -0.961282D+00  0.373057D+00 -0.988343D+00
                91            92            93            94            95 
      1  -0.155614D+01 -0.470189D+00  0.120951D+01  0.175095D+00 -0.136973D-01
      2   0.300450D+01  0.602529D+00 -0.600024D+00  0.995342D+00  0.102708D+01
      3   0.101684D+01 -0.175994D+01 -0.134781D+00 -0.564945D+00 -0.332740D-01
                96            97            98            99           100 
      1   0.362472D+01 -0.617050D+00  0.237582D+01 -0.126041D+02  0.123109D+01
      2  -0.318286D+01 -0.417847D+01  0.264549D+01  0.138451D+02 -0.121033D+01
      3  -0.169861D+01  0.300072D+01 -0.194711D+01 -0.133579D+00  0.201105D+01
               101           102           103           104           105 
      1   0.368645D-01 -0.233927D+01  0.393124D+01 -0.134950D+01 -0.519633D+01
      2  -0.240444D+01 -0.266178D+01  0.823198D+00 -0.790310D+01 -0.926675D+01
      3   0.158569D+01  0.269620D+01 -0.876454D+00  0.892795D+01  0.860123D+01
               106           107           108           109           110 
      1  -0.162657D+01  0.182378D+01 -0.466875D+01  0.313932D+01  0.310818D+00
      2   0.150551D+01 -0.104329D+02 -0.108988D+02  0.105790D+02 -0.301776D+01
      3  -0.157597D+01  0.115278D+02  0.100486D+02 -0.527022D+01 -0.539022D+01
               111           112           113           114           115 
      1   0.121695D+01 -0.107261D-01  0.301500D+00 -0.204625D+00  0.187520D+01
      2   0.684193D+01  0.358561D+01 -0.258952D+01 -0.120571D+01  0.311323D+01
      3  -0.810849D+00  0.545237D+00 -0.503889D+00  0.373923D+00 -0.640983D+01
               116           117           118           119           120 
      1   0.237362D+00 -0.136557D+00 -0.313933D+01  0.310798D+00 -0.121699D+01
      2  -0.624776D+00  0.366744D+01  0.105789D+02  0.301787D+01  0.684188D+01
      3   0.886955D+00  0.167756D+01  0.527021D+01 -0.539021D+01  0.810824D+00
               121           122           123           124           125 
      1  -0.106809D-01 -0.301465D+00 -0.204658D+00 -0.187514D+01  0.237325D+00
      2  -0.358546D+01 -0.258953D+01  0.120578D+01  0.311301D+01  0.624706D+00
      3   0.545053D+00  0.503662D+00  0.373994D+00  0.640971D+01  0.887035D+00
               126           127           128           129           130 
      1   0.136549D+00 -0.123107D+01  0.368274D-01  0.233939D+01  0.393112D+01
      2   0.366750D+01 -0.121038D+01  0.240463D+01 -0.266186D+01 -0.823105D+00
      3  -0.167755D+01 -0.201111D+01  0.158597D+01 -0.269643D+01 -0.876435D+00
               131           132           133           134           135 
      1   0.134963D+01 -0.519641D+01  0.162665D+01  0.182371D+01  0.466865D+01
      2  -0.790330D+01  0.926658D+01  0.150530D+01  0.104328D+02 -0.108983D+02
      3  -0.892847D+01  0.860145D+01  0.157587D+01  0.115280D+02 -0.100485D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356390D+01  0.106067D+02  0.628922D+01  0.363315D+01  0.446345D+01
      2  -0.557520D+01 -0.158744D+02 -0.108369D+02 -0.648232D+01 -0.210725D+02
      3   0.913909D+01  0.526762D+01  0.454769D+01  0.284917D+01  0.166091D+02
      4   0.355960D+01 -0.745624D+01  0.241032D+01 -0.227696D+01 -0.229615D+02
      5   0.218301D+02  0.704168D+01  0.121040D+02 -0.685997D-03 -0.381041D+01
      6   0.143602D+02 -0.289476D+01  0.167852D+01 -0.381104D+01 -0.378906D+01
                 6             7             8             9            10 
      1  -0.543051D+01 -0.570397D+01 -0.448128D+00  0.187498D+02  0.264322D+02
      2  -0.550981D+01 -0.195597D+01  0.558253D+01  0.129139D+02 -0.455200D+01
      3   0.109403D+02  0.765994D+01 -0.513440D+01 -0.316637D+02 -0.218802D+02
      4  -0.411585D+01  0.960871D+01  0.252180D+01  0.208710D+01 -0.525384D-03
      5   0.271626D+01  0.152265D+02  0.427479D+01 -0.366998D+01 -0.447413D+02
      6   0.439265D+01  0.694047D+01  0.678954D+01  0.172383D+01  0.539494D-03
                11            12            13            14            15 
      1  -0.915695D-04 -0.861042D+00 -0.155201D-03  0.244628D+01 -0.171819D-04
      2   0.114896D-03  0.639121D+01  0.217826D-03  0.469730D+01  0.153843D-03
      3  -0.233265D-04 -0.553017D+01 -0.626244D-04 -0.714358D+01 -0.136661D-03
      4   0.221463D+02  0.140038D-03 -0.536518D+01 -0.142461D-04  0.309001D+01
      5   0.194920D-03  0.436365D+01  0.267427D-03 -0.939860D+01  0.366730D-04
      6  -0.787134D+01 -0.259341D-04 -0.108479D+02  0.293570D-03 -0.374128D+01
                16            17            18            19            20 
      1   0.121249D+02  0.175289D-04 -0.570462D+01 -0.290103D+02  0.554279D+01
      2  -0.984199D+00  0.326048D-03 -0.179501D+00  0.110277D+02  0.958469D+01
      3  -0.111407D+02 -0.343577D-03  0.588413D+01  0.179826D+02 -0.151275D+02
      4   0.227141D-03  0.194798D+01 -0.177116D-04  0.256569D+02 -0.314528D+02
      5  -0.248230D+02 -0.105418D-03 -0.520526D+01  0.371512D+02 -0.733387D+01
      6  -0.103093D-03 -0.761429D+01 -0.251826D-03 -0.595697D+01  0.126753D+01
                21            22            23            24            25 
      1   0.149804D+02  0.231263D+02 -0.123041D+02 -0.454794D+01  0.176677D+02
      2  -0.138417D+02 -0.897646D+01  0.554907D+00  0.923889D+01 -0.695643D+01
      3  -0.113871D+01 -0.141499D+02  0.117492D+02 -0.469095D+01 -0.107113D+02
      4  -0.355365D+01 -0.203943D+02  0.350024D+02 -0.365594D+01 -0.200904D+02
      5  -0.234733D+02 -0.192430D+02  0.328692D+01  0.140500D+02 -0.637131D+01
      6   0.550079D+01  0.602513D+01 -0.355286D+01  0.429849D+01  0.556336D+01
                26            27            28            29            30 
      1   0.105781D+01 -0.154214D+02 -0.516666D+00 -0.499966D+01 -0.296778D+02
      2  -0.782584D+01  0.411075D+01 -0.205062D+01 -0.428876D+01  0.214451D+02
      3   0.676804D+01  0.113106D+02  0.256729D+01  0.928842D+01  0.823261D+01
      4   0.448026D+01  0.916959D+00 -0.111728D+02  0.281299D+02  0.890520D+01
      5  -0.384580D+00  0.998918D+01 -0.483037D+02  0.687651D+01  0.280578D+02
      6   0.694785D+01 -0.621561D+01  0.100028D+02 -0.435536D+01 -0.359689D+01
                31            32            33            34            35 
      1  -0.551010D+01  0.114302D+02  0.110923D+02 -0.462059D+02  0.136923D+02
      2  -0.131804D+02  0.174100D+02 -0.647478D+01  0.328995D+02 -0.112084D+02
      3   0.186905D+02 -0.288403D+02 -0.461757D+01  0.133064D+02 -0.248381D+01
      4   0.451837D+02 -0.445948D+02  0.710625D+01  0.619908D+01  0.729056D+01
      5  -0.990371D+00  0.853129D+01  0.356462D+01  0.373271D+02  0.842581D+00
      6  -0.137330D+01 -0.118126D+02 -0.296203D+01 -0.603675D+01 -0.215770D+01
                36            37            38            39            40 
      1   0.230024D+02 -0.356390D+01 -0.106067D+02  0.628875D+01 -0.363297D+01
      2  -0.206409D+02 -0.557463D+01  0.158748D+02 -0.108365D+02  0.648265D+01
      3  -0.236147D+01  0.913852D+01 -0.526810D+01  0.454777D+01 -0.284968D+01
      4   0.222971D+01 -0.355986D+01 -0.745630D+01 -0.241070D+01 -0.227676D+01
      5  -0.182622D+02  0.218302D+02 -0.704213D+01  0.121038D+02  0.252037D-03
      6  -0.865417D+01 -0.143604D+02 -0.289419D+01 -0.167897D+01 -0.381060D+01
                41            42            43            44            45 
      1   0.446349D+01  0.542975D+01 -0.570433D+01  0.447422D+00  0.187507D+02
      2  -0.210728D+02  0.550878D+01 -0.195534D+01 -0.558395D+01  0.129141D+02
      3   0.166093D+02 -0.109385D+02  0.765967D+01  0.513653D+01 -0.316648D+02
      4   0.229621D+02 -0.411545D+01 -0.960939D+01  0.252247D+01 -0.208667D+01
      5  -0.380991D+01 -0.271623D+01  0.152265D+02 -0.427443D+01 -0.367069D+01
      6   0.378803D+01  0.439297D+01 -0.694074D+01  0.678924D+01 -0.172209D+01
                46            47            48            49            50 
      1  -0.290090D+02 -0.554294D+01  0.149803D+02 -0.231264D+02 -0.123043D+02
      2   0.110269D+02 -0.958445D+01 -0.138415D+02  0.897617D+01  0.554681D+00
      3   0.179822D+02  0.151274D+02 -0.113882D+01  0.141502D+02  0.117496D+02
      4  -0.256559D+02 -0.314526D+02  0.355386D+01 -0.203949D+02 -0.350028D+02
      5   0.371504D+02  0.733407D+01 -0.234730D+02  0.192431D+02  0.328707D+01
      6   0.595633D+01  0.126712D+01 -0.550098D+01  0.602504D+01  0.355227D+01
                51            52            53            54            55 
      1   0.454867D+01  0.176673D+02 -0.105729D+01 -0.154218D+02 -0.517667D+00
      2  -0.923934D+01 -0.695588D+01  0.782549D+01  0.411060D+01 -0.205000D+01
      3   0.469067D+01 -0.107114D+02 -0.676820D+01  0.113113D+02  0.256767D+01
      4  -0.365574D+01  0.200905D+02  0.448000D+01 -0.917497D+00  0.111720D+02
      5  -0.140505D+02 -0.637089D+01  0.384164D+00  0.998951D+01 -0.483031D+02
      6   0.429827D+01 -0.556322D+01  0.694822D+01  0.621570D+01 -0.100028D+02
                56            57            58            59            60 
      1   0.499935D+01 -0.296773D+02  0.550972D+01  0.114306D+02 -0.110933D+02
      2   0.428882D+01  0.214447D+02  0.131803D+02  0.174095D+02  0.647589D+01
      3  -0.928817D+01  0.823254D+01 -0.186900D+02 -0.288401D+02  0.461740D+01
      4   0.281297D+02 -0.890582D+01  0.451831D+02  0.445945D+02  0.710654D+01
      5  -0.687709D+01  0.280578D+02  0.989701D+00  0.853164D+01 -0.356365D+01
      6  -0.435550D+01  0.359740D+01 -0.137304D+01  0.118135D+02 -0.296193D+01
                61            62            63            64            65 
      1  -0.462055D+02 -0.136931D+02  0.230025D+02  0.430946D+01  0.194035D+01
      2   0.328993D+02  0.112095D+02 -0.206412D+02  0.348176D+01 -0.908129D+01
      3   0.133062D+02  0.248363D+01 -0.236127D+01 -0.779121D+01  0.714093D+01
      4  -0.619986D+01  0.729071D+01 -0.222862D+01 -0.109351D+02  0.181291D+02
      5   0.373276D+02 -0.841517D+00 -0.182631D+02  0.997433D+00 -0.481844D+01
      6   0.603737D+01 -0.215749D+01  0.865359D+01 -0.172174D+01  0.560140D+01
                66            67            68            69            70 
      1  -0.207211D+01  0.131697D+01 -0.222417D+02  0.567676D+01 -0.178066D+01
      2   0.300760D+01 -0.974970D+01  0.433679D+02 -0.562526D+01 -0.154521D+00
      3  -0.935488D+00  0.843273D+01 -0.211262D+02 -0.515038D-01  0.193518D+01
      4  -0.394887D+01  0.169437D+02 -0.359839D+02  0.772223D+01  0.175698D+01
      5   0.447285D+01 -0.509579D+01  0.945512D+01 -0.519891D+01  0.883777D+00
      6  -0.278126D+01  0.734998D+01 -0.180107D+02  0.969566D+01 -0.174632D+01
                71            72            73            74            75 
      1   0.691047D+00 -0.538323D+01 -0.458925D+00  0.533517D+00  0.441100D+01
      2   0.537850D+01  0.106205D+01 -0.218811D+01 -0.753564D+00  0.124382D+01
      3  -0.606955D+01  0.432118D+01  0.264704D+01  0.220046D+00 -0.565482D+01
      4  -0.209852D+01 -0.470626D+01  0.854859D+00  0.363409D+01 -0.198007D+01
      5  -0.412508D+01  0.307644D+01 -0.300907D+00 -0.860372D+00  0.608870D+01
      6   0.573954D+01 -0.307974D+01  0.101932D+01  0.463548D-01  0.973603D+00
                76            77            78            79            80 
      1   0.247492D+01 -0.471751D+01 -0.425197D+01  0.121635D+01  0.696344D+01
      2  -0.221331D+01  0.321920D+01 -0.659248D+01 -0.264248D+01 -0.396242D+00
      3  -0.261612D+00  0.149831D+01  0.108444D+02  0.142613D+01 -0.656720D+01
      4   0.253594D+01 -0.261643D+01  0.336387D+01 -0.250150D-01  0.442075D+01
      5   0.214528D+01  0.315659D+01  0.279942D+01  0.673919D+01 -0.367341D+01
      6   0.169386D+01 -0.125841D+01  0.599260D+01 -0.958174D+00  0.809372D+01
                81            82            83            84            85 
      1  -0.333479D+02  0.430940D+01 -0.194038D+01 -0.207216D+01 -0.131695D+01
      2  -0.230467D+02  0.348163D+01  0.908092D+01  0.300768D+01  0.974927D+01
      3   0.563946D+02 -0.779103D+01 -0.714054D+01 -0.935518D+00 -0.843233D+01
      4  -0.296062D+01  0.109348D+02  0.181286D+02  0.394912D+01  0.169434D+02
      5   0.208022D+02  0.997621D+00  0.481869D+01  0.447301D+01  0.509618D+01
      6  -0.129918D+02  0.172197D+01  0.560170D+01  0.278147D+01  0.735035D+01
                86            87            88            89            90 
      1  -0.222417D+02 -0.567716D+01 -0.178076D+01 -0.691501D+00 -0.538339D+01
      2   0.433671D+02  0.562579D+01 -0.154293D+00 -0.537759D+01  0.106200D+01
      3  -0.211254D+02  0.513711D-01  0.193505D+01  0.606909D+01  0.432139D+01
      4   0.359833D+02  0.772277D+01 -0.175655D+01 -0.209773D+01  0.470634D+01
      5   0.945568D+01  0.519921D+01  0.883871D+00  0.412521D+01  0.307671D+01
      6   0.180119D+02  0.969618D+01  0.174647D+01  0.573971D+01  0.308004D+01
                91            92            93            94            95 
      1  -0.458906D+00 -0.533717D+00  0.441084D+01 -0.247495D+01 -0.471739D+01
      2  -0.218806D+01  0.753538D+00  0.124386D+01  0.221328D+01  0.321891D+01
      3   0.264697D+01 -0.219821D+00 -0.565471D+01  0.261661D+00  0.149849D+01
      4  -0.854895D+00  0.363400D+01  0.197998D+01  0.253595D+01  0.261605D+01
      5  -0.300909D+00  0.860275D+00  0.608873D+01 -0.214545D+01  0.315660D+01
      6  -0.101948D+01  0.464455D-01 -0.973400D+00  0.169393D+01  0.125799D+01
                96            97            98            99           100 
      1   0.425283D+01  0.121627D+01 -0.696257D+01 -0.333476D+02  0.944963D+01
      2   0.659288D+01 -0.264241D+01  0.396620D+00 -0.230470D+02 -0.267344D+01
      3  -0.108457D+02  0.142614D+01  0.656595D+01  0.563946D+02 -0.677619D+01
      4   0.336389D+01  0.248846D-01  0.442062D+01  0.296017D+01 -0.717416D+01
      5  -0.279986D+01  0.673907D+01  0.367296D+01  0.208020D+02 -0.127755D+01
      6   0.599265D+01  0.958110D+00  0.809318D+01  0.129899D+02  0.167094D+01
               101           102           103           104           105 
      1  -0.847345D+01 -0.608242D+01 -0.352030D+01 -0.114946D+02 -0.101339D+02
      2   0.385580D+01  0.155729D+01  0.315037D+01  0.110185D+02  0.528615D+01
      3   0.461765D+01  0.452513D+01  0.369931D+00  0.476048D+00  0.484780D+01
      4   0.382799D+01  0.769942D+00  0.989622D+01 -0.147700D+02 -0.126243D+02
      5   0.448894D-01 -0.971717D+00  0.869517D+01 -0.134577D+02 -0.164476D+02
      6   0.303313D+01  0.335680D+01 -0.531951D+01  0.169192D+02  0.161958D+02
               106           107           108           109           110 
      1   0.175026D+01 -0.135758D+02 -0.156793D+02  0.857364D+02 -0.125583D+02
      2  -0.321034D+01  0.116257D+02  0.469573D+01 -0.393272D+02  0.356060D+01
      3   0.146008D+01  0.195009D+01  0.109835D+02 -0.464092D+02  0.899768D+01
      4   0.699737D+01 -0.162244D+02 -0.133744D+02 -0.307051D+02  0.157912D+02
      5   0.658709D+01 -0.140582D+02 -0.173916D+02  0.991921D+01 -0.173671D+01
      6  -0.584629D+01  0.175077D+02  0.189772D+02 -0.697370D+01  0.123694D+01
               111           112           113           114           115 
      1   0.944290D+01 -0.475071D+01  0.585713D+01  0.315085D+01  0.285638D+02
      2  -0.420131D+01  0.844728D+00 -0.127802D+01 -0.111329D+01 -0.159185D+02
      3  -0.524159D+01  0.390598D+01 -0.457911D+01 -0.203756D+01 -0.126453D+02
      4  -0.284591D+01  0.101658D+02 -0.331984D+01 -0.169657D+01 -0.209264D+01
      5   0.957482D+01  0.771426D+01 -0.246320D+01 -0.263402D+01  0.113904D+02
      6  -0.355490D+01 -0.149628D+01  0.220968D+01  0.229204D+01 -0.455440D+01
               116           117           118           119           120 
      1  -0.234052D+01  0.557494D+01  0.857362D+02  0.125587D+02  0.944295D+01
      2   0.125172D+01 -0.436181D+01 -0.393271D+02 -0.356071D+01 -0.420137D+01
      3   0.108880D+01 -0.121313D+01 -0.464091D+02 -0.899796D+01 -0.524158D+01
      4  -0.136508D+01 -0.470734D+01  0.307061D+02  0.157916D+02  0.284610D+01
      5  -0.298550D+01  0.570401D+01  0.991946D+01  0.173689D+01  0.957478D+01
      6   0.256269D+01 -0.393700D+00  0.697383D+01  0.123704D+01  0.355494D+01
               121           122           123           124           125 
      1   0.475118D+01  0.585730D+01 -0.315073D+01  0.285637D+02  0.234084D+01
      2  -0.844779D+00 -0.127792D+01  0.111323D+01 -0.159185D+02 -0.125190D+01
      3  -0.390640D+01 -0.457938D+01  0.203749D+01 -0.126452D+02 -0.108894D+01
      4   0.101665D+02  0.332042D+01 -0.169662D+01  0.209314D+01 -0.136504D+01
      5  -0.771413D+01 -0.246327D+01  0.263407D+01  0.113901D+02  0.298539D+01
      6  -0.149624D+01 -0.220969D+01  0.229204D+01  0.455431D+01  0.256269D+01
               126           127           128           129           130 
      1   0.557473D+01  0.944940D+01  0.847378D+01 -0.608251D+01  0.352023D+01
      2  -0.436166D+01 -0.267329D+01 -0.385613D+01  0.155743D+01 -0.315004D+01
      3  -0.121307D+01 -0.677611D+01 -0.461764D+01  0.452508D+01 -0.370187D+00
      4   0.470729D+01  0.717399D+01  0.382779D+01 -0.769677D+00  0.989631D+01
      5   0.570413D+01 -0.127730D+01 -0.446050D-01 -0.971986D+00 -0.869471D+01
      6   0.393732D+00 -0.167080D+01  0.303350D+01 -0.335710D+01 -0.531947D+01
               131           132           133           134           135 
      1  -0.114953D+02  0.101343D+02  0.175016D+01  0.135762D+02 -0.156792D+02
      2   0.110196D+02 -0.528683D+01 -0.321053D+01 -0.116264D+02  0.469631D+01
      3   0.475699D+00 -0.484752D+01  0.146036D+01 -0.194972D+01  0.109829D+02
      4   0.147705D+02 -0.126243D+02 -0.699707D+01 -0.162244D+02  0.133738D+02
      5  -0.134578D+02  0.164472D+02  0.658646D+01  0.140578D+02 -0.173904D+02
      6  -0.169196D+02  0.161958D+02  0.584591D+01  0.175076D+02 -0.189767D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 19:34:34 2021, MaxMem= 10737418240 cpu:           10364.9 elap:             648.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.46303 -10.46088 -10.46081 -10.45112 -10.45111
 Alpha  occ. eigenvalues --  -10.43654 -10.43654  -1.04259  -0.96149  -0.85932
 Alpha  occ. eigenvalues --   -0.84903  -0.71689  -0.68873  -0.61497  -0.59280
 Alpha  occ. eigenvalues --   -0.57617  -0.57419  -0.55546  -0.54930  -0.46401
 Alpha  occ. eigenvalues --   -0.42229  -0.41927  -0.37902  -0.35771  -0.35153
 Alpha virt. eigenvalues --   -0.01059  -0.00121   0.00051   0.00179   0.01673
 Alpha virt. eigenvalues --    0.02075   0.02138   0.02669   0.04596   0.05748
 Alpha virt. eigenvalues --    0.06116   0.06324   0.06749   0.07265   0.09248
 Alpha virt. eigenvalues --    0.09416   0.10322   0.10432   0.11024   0.11771
 Alpha virt. eigenvalues --    0.12151   0.12626   0.13320   0.13669   0.13880
 Alpha virt. eigenvalues --    0.14535   0.14894   0.15544   0.15619   0.16104
 Alpha virt. eigenvalues --    0.17072   0.17655   0.21472   0.21969   0.22616
 Alpha virt. eigenvalues --    0.24450   0.25162   0.26225   0.26410   0.27026
 Alpha virt. eigenvalues --    0.28048   0.28648   0.29862   0.30516   0.32389
 Alpha virt. eigenvalues --    0.33435   0.33519   0.34964   0.36186   0.36467
 Alpha virt. eigenvalues --    0.37399   0.38247   0.38817   0.39750   0.40190
 Alpha virt. eigenvalues --    0.40564   0.41303   0.41414   0.43186   0.43852
 Alpha virt. eigenvalues --    0.44602   0.46713   0.47061   0.47484   0.47912
 Alpha virt. eigenvalues --    0.48408   0.49578   0.50419   0.50630   0.51891
 Alpha virt. eigenvalues --    0.52469   0.53022   0.54504   0.55936   0.56403
 Alpha virt. eigenvalues --    0.56513   0.57297   0.57396   0.58611   0.59120
 Alpha virt. eigenvalues --    0.59470   0.60037   0.61989   0.62663   0.62796
 Alpha virt. eigenvalues --    0.63767   0.64706   0.64867   0.65987   0.66704
 Alpha virt. eigenvalues --    0.67499   0.67777   0.68234   0.69096   0.69271
 Alpha virt. eigenvalues --    0.69995   0.72208   0.74359   0.75022   0.75449
 Alpha virt. eigenvalues --    0.75781   0.77662   0.80334   0.81696   0.81934
 Alpha virt. eigenvalues --    0.82124   0.83457   0.91008   0.93586   0.94015
 Alpha virt. eigenvalues --    0.97110   0.97145   0.98201   0.99946   1.01431
 Alpha virt. eigenvalues --    1.03027   1.04800   1.05444   1.07886   1.07890
 Alpha virt. eigenvalues --    1.09027   1.10284   1.12055   1.12438   1.17272
 Alpha virt. eigenvalues --    1.18869   1.20250   1.24140   1.27701   1.28019
 Alpha virt. eigenvalues --    1.28489   1.32734   1.35828   1.39819   1.40025
 Alpha virt. eigenvalues --    1.41923   1.42012   1.47259   1.47553   1.49459
 Alpha virt. eigenvalues --    1.53677   1.54668   1.55835   1.57728   1.60150
 Alpha virt. eigenvalues --    1.62900   1.63650   1.64857   1.66199   1.68291
 Alpha virt. eigenvalues --    1.71605   1.75004   1.76531   1.78852   1.82235
 Alpha virt. eigenvalues --    1.84585   1.84774   1.85165   1.86333   1.87834
 Alpha virt. eigenvalues --    1.88365   1.88823   1.90389   1.94398   1.95696
 Alpha virt. eigenvalues --    1.97149   1.98211   1.98709   2.01155   2.01177
 Alpha virt. eigenvalues --    2.04976   2.06621   2.07002   2.08624   2.11078
 Alpha virt. eigenvalues --    2.15849   2.16360   2.18479   2.23222   2.25061
 Alpha virt. eigenvalues --    2.26229   2.26601   2.34077   2.36064   2.37377
 Alpha virt. eigenvalues --    2.42308   2.43166   2.43526   2.46152   2.48741
 Alpha virt. eigenvalues --    2.49824   2.56824   2.59033   2.59974   2.60976
 Alpha virt. eigenvalues --    2.67032   2.79258   2.83562   2.84706   2.90354
 Alpha virt. eigenvalues --    2.91239   3.03712   3.07574   3.11062   3.17345
 Alpha virt. eigenvalues --    3.43930   3.44740   3.84498
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.781126  -0.485837   1.317112  -0.989076  -0.930372  -0.964940
     2  C   -0.485837   8.787492  -1.091697  -0.238346  -0.485877  -1.091677
     3  C    1.317112  -1.091697   8.434286  -1.299891  -0.964956  -0.650775
     4  C   -0.989076  -0.238346  -1.299891   8.201779  -0.132146  -0.063815
     5  C   -0.930372  -0.485877  -0.964956  -0.132146   7.781210   1.317116
     6  C   -0.964940  -1.091677  -0.650775  -0.063815   1.317116   8.434266
     7  C   -0.132147  -0.238311  -0.063804   0.076996  -0.989106  -1.299890
     8  H   -0.087664  -0.035258   0.091308   0.006525  -0.013568   0.093741
     9  H    0.070389  -0.065661  -0.010017  -0.006062  -0.060229   0.125022
    10  H   -0.013568  -0.035265   0.093740   0.030498  -0.087664   0.091310
    11  H   -0.060218  -0.065663   0.125018  -0.015428   0.070387  -0.010019
    12  H    0.203128  -0.181320   0.258924  -0.156305  -0.006898   0.031298
    13  H   -0.201124   0.205949   0.266651  -0.243591   0.020340   0.009398
    14  H    0.020340   0.205948   0.009399   0.005519  -0.201123   0.266654
    15  H   -0.006899  -0.181328   0.031296   0.004362   0.203134   0.258928
               7          8          9         10         11         12
     1  C   -0.132147  -0.087664   0.070389  -0.013568  -0.060218   0.203128
     2  C   -0.238311  -0.035258  -0.065661  -0.035265  -0.065663  -0.181320
     3  C   -0.063804   0.091308  -0.010017   0.093740   0.125018   0.258924
     4  C    0.076996   0.006525  -0.006062   0.030498  -0.015428  -0.156305
     5  C   -0.989106  -0.013568  -0.060229  -0.087664   0.070387  -0.006898
     6  C   -1.299890   0.093741   0.125022   0.091310  -0.010019   0.031298
     7  C    8.201753   0.030496  -0.015426   0.006525  -0.006058   0.004361
     8  H    0.030496   1.501538  -0.387593  -0.018084   0.011567   0.001427
     9  H   -0.015426  -0.387593   1.579282   0.011567   0.005518   0.001318
    10  H    0.006525  -0.018084   0.011567   1.501548  -0.387595   0.002833
    11  H   -0.006058   0.011567   0.005518  -0.387595   1.579284   0.002105
    12  H    0.004361   0.001427   0.001318   0.002833   0.002105   1.629048
    13  H    0.005520   0.001059   0.004001   0.012885   0.013122  -0.402045
    14  H   -0.243591   0.012885   0.013123   0.001059   0.004001   0.001839
    15  H   -0.156314   0.002832   0.002105   0.001427   0.001317  -0.003560
              13         14         15
     1  C   -0.201124   0.020340  -0.006899
     2  C    0.205949   0.205948  -0.181328
     3  C    0.266651   0.009399   0.031296
     4  C   -0.243591   0.005519   0.004362
     5  C    0.020340  -0.201123   0.203134
     6  C    0.009398   0.266654   0.258928
     7  C    0.005520  -0.243591  -0.156314
     8  H    0.001059   0.012885   0.002832
     9  H    0.004001   0.013123   0.002105
    10  H    0.012885   0.001059   0.001427
    11  H    0.013122   0.004001   0.001317
    12  H   -0.402045   0.001839  -0.003560
    13  H    1.692132  -0.000278   0.001839
    14  H   -0.000278   1.692128  -0.402045
    15  H    0.001839  -0.402045   1.629057
 Mulliken charges:
               1
     1  C    0.479750
     2  C    0.996852
     3  C   -0.546595
     4  C    0.818981
     5  C    0.479752
     6  C   -0.546616
     7  C    0.818999
     8  H   -0.211212
     9  H   -0.267335
    10  H   -0.211218
    11  H   -0.267337
    12  H   -0.386151
    13  H   -0.385859
    14  H   -0.385858
    15  H   -0.386153
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.001195
     2  C    0.996852
     3  C   -0.546595
     4  C    0.046971
     5  C    0.001205
     6  C   -0.546616
     7  C    0.046988
 Electronic spatial extent (au):  <R**2>=            789.0972
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.4494    Z=             -0.0000  Tot=              0.4494
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.3745   YY=            -41.3414   ZZ=            -41.0768
   XY=             -0.0000   XZ=              0.9476   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1103   YY=             -0.0772   ZZ=              0.1874
   XY=             -0.0000   XZ=              0.9476   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              6.1111  ZZZ=             -0.0001  XYY=             -0.0002
  XXY=             -5.1064  XXZ=             -0.0001  XZZ=              0.0001  YZZ=             -1.3982
  YYZ=              0.0001  XYZ=              5.4293
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -665.8522 YYYY=           -222.7655 ZZZZ=           -168.8155 XXXY=              0.0001
 XXXZ=              8.6303 YYYX=              0.0001 YYYZ=             -0.0000 ZZZX=              5.3468
 ZZZY=             -0.0002 XXYY=           -149.5308 XXZZ=           -156.0825 YYZZ=            -65.6987
 XXYZ=              0.0002 YYXZ=             -4.4246 ZZXY=             -0.0002
 N-N= 2.623876293527D+02 E-N=-1.152691407829D+03  KE= 2.695297493696D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 19:34:34 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.62471630D-06 1.91961644D-01-8.48895690D-07
 Polarizability= 1.09552914D+02-6.86951035D-06 7.64921559D+01
                -3.63271180D+00-1.75299518D-05 6.98519726D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.3599    2.3546       -0.0000   -0.0000
 2     -2.3599   -2.3546        0.0000    0.0000      -17.6929  -17.6951
 3      0.0000    0.0000       21.3231   21.3363       -0.0000   -0.0000
 4     -0.0000   -0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -3.6302   -3.6411        0.0000   -0.0000        2.3589    2.3546
 6      0.0000    0.0000       -2.3589   -2.3546       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.0637   -7.0637       -0.0000   -0.0000
 2     -0.0000   -0.0000       -0.0000    0.0000       -0.0000   -0.0000
 3     -0.0000   -0.0000       -7.0637   -7.0637       -0.0000    0.0000
 4     -7.0637   -7.0637        0.0000    0.0000      -53.0854  -53.0854
 5      0.0000    0.0000       64.0088   64.0088       -0.0000   -0.0000
 6    -10.9234  -10.9234       -0.0000   -0.0000        7.0637    7.0637
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -9.1973   -9.4183       -0.0000    0.0000
 2      9.0507    9.4183       -0.0001   -0.0000       70.9601   70.7806
 3      0.0000   -0.0000      -85.4615  -85.3451        0.0000    0.0000
 4      0.0001    0.0000        0.2500    0.0000        0.0001   -0.0000
 5     14.3528   14.5645       -0.0000    0.0000      -10.0412   -9.4183
 6     -0.0001   -0.0000        9.6890    9.4183        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       39.3087   38.8555        0.0000    0.0001
 2    -38.3422  -38.8555        0.0006    0.0006      -49.1714  -49.0223
 3     -0.0002   -0.0001      -18.8796  -19.2456       -0.0007   -0.0006
 4     -0.0006   -0.0006        0.0885    0.0000       -0.0001   -0.0001
 5     67.1943   68.2679        0.0000    0.0001       38.2216   38.8555
 6      0.0006    0.0006      -38.8769  -38.8555        0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0021   -0.0021      114.5738  114.2345       -0.0009   -0.0009
 2     -0.0025   -0.0026      127.5467  127.2429       -0.0009   -0.0009
 3     -0.0025   -0.0026      114.4634  114.2345       -0.0012   -0.0012
 4    -14.5034  -13.0084        0.0006    0.0006      -35.7640  -35.1498
 5     -0.0003   -0.0003      -42.6464  -42.8549       -0.0005   -0.0006
 6     77.4668   78.0047        0.0003    0.0003       12.6863   13.0084
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2578   -2.8865   -1.2882   -0.0007   -0.0003    0.0003
 Low frequencies ---  103.5098  177.3399  191.7342
 Diagonal vibrational polarizability:
        3.3186450       2.9187434       2.9466550
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    103.5098               177.3398               191.7342
 Red. masses --      3.2676                 2.6780                 2.5912
 Frc consts  --      0.0206                 0.0496                 0.0561
 IR Inten    --      0.1129                 0.3538                 0.0313
 RamAct Fr= 1--     12.4483                 4.4086                 7.5992
  Dep-P Fr= 1--      0.7355                 0.7500                 0.6490
  Dep-U Fr= 1--      0.8476                 0.8571                 0.7871
 Alpha2 Fr= 1--      0.0031                 0.0000                 0.0138
 Beta2  Fr= 1--      1.7585                 0.6298                 0.9969
 AlphaG Fr= 1--     -0.0082                -0.0000                 0.0096
 Gamma2 Fr= 1--      3.0517                -2.5529                 0.1161
 Delta2 Fr= 1--     -1.1740                 1.2253                 0.2833
 Raman1 Fr= 1--      49.793                 17.635                 30.397
 ROA1   Fr= 1--     255.390               -205.869                 20.211
 CID1   Fr= 1--       5.129                -11.674                  0.665
 Raman2 Fr= 1--      21.102                  7.558                 11.963
 ROA2   Fr= 1--      82.632                -71.073                  0.520
 CID2   Fr= 1--       3.916                 -9.404                  0.043
 Raman3 Fr= 1--      42.203                 15.115                 23.926
 ROA3   Fr= 1--     255.390               -205.869                 20.211
 CID3   Fr= 1--       6.051                -13.620                  0.845
 RC180  Fr= 1--       0.695                  0.714                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.11   0.06     0.11   0.12   0.01     0.05   0.05  -0.15
     2   6     0.00  -0.12  -0.00    -0.01  -0.00   0.18     0.00  -0.12  -0.00
     3   6     0.03  -0.04   0.02    -0.00   0.03   0.07     0.06  -0.01  -0.07
     4   6     0.17   0.19  -0.10    -0.10   0.03  -0.12     0.15  -0.01   0.09
     5   6     0.06  -0.11  -0.06     0.11  -0.12   0.01    -0.05   0.05   0.15
     6   6    -0.03  -0.04  -0.02    -0.00  -0.03   0.07    -0.06  -0.01   0.07
     7   6    -0.17   0.19   0.10    -0.10  -0.03  -0.12    -0.15  -0.01  -0.09
     8   1     0.10  -0.09  -0.15     0.06  -0.12  -0.15     0.10   0.09   0.31
     9   1     0.11  -0.19  -0.03     0.27  -0.22   0.05    -0.23   0.15   0.10
    10   1    -0.10  -0.09   0.15     0.06   0.12  -0.15    -0.10   0.09  -0.31
    11   1    -0.11  -0.19   0.03     0.27   0.22   0.05     0.23   0.15  -0.10
    12   1     0.27   0.24  -0.18    -0.32  -0.02  -0.03     0.25  -0.20   0.23
    13   1     0.17   0.32  -0.12     0.00   0.06  -0.39     0.14   0.21   0.11
    14   1    -0.17   0.32   0.12     0.00  -0.06  -0.39    -0.14   0.21  -0.11
    15   1    -0.27   0.24   0.18    -0.32   0.02  -0.03    -0.25  -0.20  -0.23
                      4                      5                      6
                      A                      A                      A
 Frequencies --    320.2068               381.5308               410.9306
 Red. masses --      3.0696                 2.3660                 2.2277
 Frc consts  --      0.1854                 0.2029                 0.2216
 IR Inten    --      3.9930                 0.3955                 1.1010
 RamAct Fr= 1--      1.3278                 4.6825                 1.2243
  Dep-P Fr= 1--      0.7500                 0.6683                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8012                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0068                 0.0000
 Beta2  Fr= 1--      0.1897                 0.6252                 0.1749
 AlphaG Fr= 1--      0.0000                 0.0619                 0.0000
 Gamma2 Fr= 1--     -1.7322                 2.3467                 0.9061
 Delta2 Fr= 1--     -0.8121                -0.0630                 1.4748
 Raman1 Fr= 1--       5.311                 18.730                  4.897
 ROA1   Fr= 1--    -192.278                223.268                134.176
 CID1   Fr= 1--     -36.202                 11.920                 27.399
 Raman2 Fr= 1--       2.276                  7.503                  2.099
 ROA2   Fr= 1--     -35.076                 56.826                  9.947
 CID2   Fr= 1--     -15.410                  7.574                  4.740
 Raman3 Fr= 1--       4.553                 15.006                  4.197
 ROA3   Fr= 1--    -192.278                223.268                134.176
 CID3   Fr= 1--     -42.236                 14.879                 31.966
 RC180  Fr= 1--       0.714                  0.602                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.05     0.16  -0.08   0.04     0.09  -0.05  -0.02
     2   6     0.03  -0.00  -0.00     0.00   0.18  -0.00    -0.10   0.00   0.14
     3   6     0.11   0.22  -0.12    -0.04  -0.00  -0.08    -0.10   0.01  -0.13
     4   6    -0.07  -0.08   0.03     0.05   0.01   0.05     0.01   0.02   0.05
     5   6    -0.02  -0.02   0.05    -0.16  -0.08  -0.04     0.09   0.05  -0.02
     6   6     0.11  -0.22  -0.12     0.04  -0.00   0.08    -0.10  -0.01  -0.13
     7   6    -0.07   0.08   0.03    -0.05   0.01  -0.05     0.01  -0.02   0.05
     8   1    -0.30  -0.14   0.20    -0.38  -0.14  -0.18    -0.02   0.01  -0.03
     9   1     0.16   0.21   0.02    -0.10  -0.20   0.00     0.40   0.15  -0.01
    10   1    -0.30   0.14   0.20     0.38  -0.14   0.18    -0.02  -0.01  -0.03
    11   1     0.16  -0.21   0.02     0.10  -0.20  -0.00     0.40  -0.15  -0.01
    12   1    -0.26  -0.13   0.13     0.29   0.05  -0.04     0.21  -0.22   0.20
    13   1    -0.07  -0.28   0.02    -0.06   0.03   0.32    -0.01   0.33   0.13
    14   1    -0.07   0.28   0.02     0.06   0.03  -0.32    -0.01  -0.33   0.13
    15   1    -0.26   0.13   0.13    -0.29   0.05   0.04     0.21   0.22   0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    477.2842               624.2865               663.4059
 Red. masses --      1.9879                 3.2353                 1.2181
 Frc consts  --      0.2668                 0.7429                 0.3159
 IR Inten    --      5.3481                 0.1609                 0.0141
 RamAct Fr= 1--      2.8219                26.7717                 3.0636
  Dep-P Fr= 1--      0.7307                 0.1927                 0.7500
  Dep-U Fr= 1--      0.8444                 0.3232                 0.8571
 Alpha2 Fr= 1--      0.0009                 0.3706                 0.0000
 Beta2  Fr= 1--      0.3971                 1.4419                 0.4377
 AlphaG Fr= 1--      0.0368                -0.4305                -0.0000
 Gamma2 Fr= 1--      0.9320                 0.0861                -3.5105
 Delta2 Fr= 1--     -0.8488                -0.1190                -0.1815
 Raman1 Fr= 1--      11.288                107.087                 12.254
 ROA1   Fr= 1--      62.312                  4.455               -342.816
 CID1   Fr= 1--       5.520                  0.042                -27.975
 Raman2 Fr= 1--       4.766                 17.303                  5.252
 ROA2   Fr= 1--      29.158                  3.017                -82.800
 CID2   Fr= 1--       6.119                  0.174                -15.766
 Raman3 Fr= 1--       9.531                 34.606                 10.504
 ROA3   Fr= 1--      62.312                  4.455               -342.816
 CID3   Fr= 1--       6.538                  0.129                -32.637
 RC180  Fr= 1--       0.689                 -0.354                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.03     0.19   0.00   0.09     0.06  -0.00   0.01
     2   6     0.00  -0.04  -0.00    -0.00  -0.07  -0.00    -0.00   0.00  -0.02
     3   6     0.06   0.14  -0.12     0.16   0.05   0.15    -0.03   0.04  -0.02
     4   6    -0.01  -0.03   0.02     0.05  -0.01   0.01    -0.04   0.03   0.02
     5   6     0.04  -0.04  -0.03    -0.19   0.00  -0.09     0.06   0.00   0.01
     6   6    -0.06   0.14   0.12    -0.16   0.05  -0.15    -0.03  -0.04  -0.02
     7   6     0.01  -0.03  -0.02    -0.05  -0.01  -0.01    -0.04  -0.03   0.02
     8   1     0.25   0.08  -0.35    -0.16   0.02  -0.10     0.12   0.05  -0.17
     9   1    -0.03  -0.40   0.05    -0.29  -0.00  -0.10     0.11  -0.16   0.06
    10   1    -0.25   0.08   0.35     0.16   0.02   0.10     0.12  -0.05  -0.17
    11   1     0.03  -0.40  -0.05     0.29  -0.00   0.10     0.11   0.16   0.06
    12   1    -0.10  -0.22   0.20    -0.31   0.01   0.09     0.10   0.32  -0.26
    13   1     0.02   0.02  -0.06     0.19  -0.14  -0.33    -0.18  -0.27   0.35
    14   1    -0.02   0.02   0.06    -0.19  -0.14   0.33    -0.18   0.27   0.35
    15   1     0.10  -0.22  -0.20     0.31   0.01  -0.09     0.10  -0.32  -0.26
                     10                     11                     12
                      A                      A                      A
 Frequencies --    695.2540               748.3975               809.3384
 Red. masses --      1.6937                 2.2081                 1.8702
 Frc consts  --      0.4824                 0.7287                 0.7218
 IR Inten    --      0.2411                 4.5576                 2.5587
 RamAct Fr= 1--      8.0773                17.6200                14.8026
  Dep-P Fr= 1--      0.3892                 0.7500                 0.4187
  Dep-U Fr= 1--      0.5603                 0.8571                 0.5902
 Alpha2 Fr= 1--      0.0622                 0.0000                 0.1024
 Beta2  Fr= 1--      0.7543                 2.5171                 1.4562
 AlphaG Fr= 1--      0.5997                -0.0000                -1.2374
 Gamma2 Fr= 1--     -0.7719                 7.6404                -7.6303
 Delta2 Fr= 1--     -2.4998                -2.8923                 5.4603
 Raman1 Fr= 1--      32.309                 70.480                 59.211
 ROA1   Fr= 1--    -154.095                640.924               -557.785
 CID1   Fr= 1--      -4.769                  9.094                 -9.420
 Raman2 Fr= 1--       9.052                 30.206                 17.474
 ROA2   Fr= 1--       1.473                206.507               -226.810
 CID2   Fr= 1--       0.163                  6.837                -12.980
 Raman3 Fr= 1--      18.104                 60.412                 34.949
 ROA3   Fr= 1--    -154.095                640.924               -557.785
 CID3   Fr= 1--      -8.512                 10.609                -15.960
 RC180  Fr= 1--       0.121                  0.714                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.02    -0.12   0.01   0.03    -0.04   0.05  -0.01
     2   6    -0.00  -0.06  -0.00    -0.02  -0.00   0.18     0.00   0.19   0.00
     3   6    -0.11  -0.03   0.03     0.04  -0.06  -0.04     0.03  -0.07   0.01
     4   6    -0.09   0.06   0.03     0.09  -0.08  -0.05     0.08  -0.07  -0.04
     5   6    -0.05  -0.02  -0.02    -0.12  -0.01   0.03     0.04   0.05   0.01
     6   6     0.11  -0.03  -0.03     0.04   0.06  -0.04    -0.03  -0.07  -0.01
     7   6     0.09   0.06  -0.03     0.09   0.08  -0.05    -0.08  -0.07   0.04
     8   1     0.01  -0.00  -0.01    -0.36  -0.05  -0.28    -0.17   0.01  -0.19
     9   1    -0.15  -0.08  -0.01     0.19  -0.26   0.13     0.29  -0.01   0.05
    10   1    -0.01  -0.00   0.01    -0.36   0.05  -0.28     0.17   0.01   0.19
    11   1     0.15  -0.08   0.01     0.19   0.26   0.13    -0.29  -0.01  -0.05
    12   1    -0.09  -0.24   0.29     0.20   0.02  -0.17     0.02  -0.31   0.18
    13   1     0.01   0.50  -0.20     0.04  -0.20   0.08     0.20   0.20  -0.32
    14   1    -0.01   0.50   0.20     0.04   0.20   0.08    -0.20   0.20   0.32
    15   1     0.09  -0.24  -0.29     0.20  -0.02  -0.17    -0.02  -0.31  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.0447               914.6412               915.3032
 Red. masses --      2.1963                 1.3154                 1.3121
 Frc consts  --      1.0159                 0.6483                 0.6477
 IR Inten    --     38.0224                43.4456                40.7301
 RamAct Fr= 1--      4.7516                 3.4174                12.6725
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7487
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.6788                 0.4882                 1.8085
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0228
 Gamma2 Fr= 1--      1.3776                 1.1044                 1.4091
 Delta2 Fr= 1--      0.7183                 0.3312                -1.5563
 Raman1 Fr= 1--      19.007                 13.670                 50.690
 ROA1   Fr= 1--     155.237                116.621                 85.472
 CID1   Fr= 1--       8.168                  8.531                  1.686
 Raman2 Fr= 1--       8.146                  5.858                 21.702
 ROA2   Fr= 1--      27.316                 23.856                 46.270
 CID2   Fr= 1--       3.353                  4.072                  2.132
 Raman3 Fr= 1--      16.291                 11.717                 43.404
 ROA3   Fr= 1--     155.237                116.621                 85.472
 CID3   Fr= 1--       9.529                  9.953                  1.969
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.16  -0.09     0.00   0.01  -0.01     0.00   0.01  -0.00
     2   6    -0.10   0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.05   0.03   0.08     0.01   0.02  -0.02     0.01   0.02  -0.02
     4   6     0.01   0.05   0.05    -0.03  -0.08   0.08    -0.03  -0.08   0.07
     5   6    -0.01   0.16  -0.09     0.00  -0.01  -0.01    -0.00   0.01   0.00
     6   6     0.05  -0.03   0.08     0.01  -0.02  -0.02    -0.01   0.02   0.02
     7   6     0.01  -0.05   0.05    -0.03   0.08   0.08     0.03  -0.08  -0.07
     8   1    -0.21   0.13  -0.36    -0.03  -0.02   0.02     0.04   0.03  -0.03
     9   1     0.29  -0.01  -0.01     0.02   0.03  -0.02    -0.03  -0.03   0.01
    10   1    -0.21  -0.13  -0.36    -0.03   0.02   0.02    -0.04   0.03   0.03
    11   1     0.29   0.01  -0.01     0.02  -0.03  -0.02     0.03  -0.03  -0.01
    12   1    -0.30   0.12   0.08     0.14   0.37  -0.34     0.15   0.36  -0.34
    13   1     0.11  -0.11  -0.19     0.12   0.32  -0.30     0.12   0.32  -0.30
    14   1     0.11   0.11  -0.19     0.12  -0.32  -0.30    -0.12   0.32   0.30
    15   1    -0.30  -0.12   0.08     0.14  -0.37  -0.34    -0.15   0.36   0.35
                     16                     17                     18
                      A                      A                      A
 Frequencies --    949.9981              1002.4155              1025.8397
 Red. masses --      2.1793                 1.4787                 1.2819
 Frc consts  --      1.1588                 0.8755                 0.7948
 IR Inten    --      2.8694                 1.6759                 2.0820
 RamAct Fr= 1--     49.7058                 1.5066                 1.7725
  Dep-P Fr= 1--      0.0132                 0.7500                 0.7500
  Dep-U Fr= 1--      0.0260                 0.8571                 0.8571
 Alpha2 Fr= 1--      1.0710                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2157                 0.2152                 0.2532
 AlphaG Fr= 1--      0.9188                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.9936                 3.8812                 1.8101
 Delta2 Fr= 1--      1.4046                -1.4184                -0.4890
 Raman1 Fr= 1--     198.823                  6.026                  7.090
 ROA1   Fr= 1--     140.333                327.205                158.120
 CID1   Fr= 1--       0.706                 54.296                 22.302
 Raman2 Fr= 1--       2.589                  2.583                  3.038
 ROA2   Fr= 1--      12.610                104.495                 47.355
 CID2   Fr= 1--       4.871                 40.459                 15.585
 Raman3 Fr= 1--       5.178                  5.165                  6.077
 ROA3   Fr= 1--     140.333                327.205                158.120
 CID3   Fr= 1--      27.103                 63.345                 26.019
 RC180  Fr= 1--      -0.948                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09   0.17    -0.01   0.06  -0.09    -0.09   0.02   0.02
     2   6    -0.00  -0.04  -0.00    -0.06  -0.00   0.09    -0.00  -0.00   0.02
     3   6    -0.02  -0.03  -0.04    -0.00  -0.03   0.03     0.00   0.03  -0.04
     4   6     0.02  -0.07  -0.08     0.03   0.01   0.01     0.02  -0.00   0.02
     5   6    -0.04   0.09  -0.17    -0.01  -0.06  -0.09    -0.09  -0.02   0.02
     6   6     0.02  -0.03   0.04    -0.00   0.03   0.03     0.00  -0.03  -0.04
     7   6    -0.02  -0.07   0.08     0.03  -0.01   0.01     0.02   0.00   0.02
     8   1     0.33   0.21  -0.04     0.02  -0.11   0.33     0.59   0.24  -0.05
     9   1    -0.12   0.21  -0.21     0.14   0.41  -0.20     0.21  -0.01   0.05
    10   1    -0.33   0.21   0.04     0.02   0.11   0.33     0.59  -0.24  -0.05
    11   1     0.12   0.21   0.21     0.14  -0.41  -0.20     0.21   0.01   0.05
    12   1     0.34  -0.17  -0.08    -0.04   0.18  -0.12    -0.09  -0.00   0.04
    13   1    -0.07   0.08   0.17     0.00  -0.28   0.07     0.08  -0.06  -0.12
    14   1     0.07   0.08  -0.17     0.00   0.28   0.07     0.08   0.06  -0.12
    15   1    -0.34  -0.17   0.08    -0.04  -0.18  -0.12    -0.09   0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1035.6499              1058.7392              1075.3287
 Red. masses --      1.4966                 1.3384                 1.6179
 Frc consts  --      0.9458                 0.8839                 1.1023
 IR Inten    --      0.8896                 0.1480                 4.0492
 RamAct Fr= 1--      0.1674                 7.4183                 0.0817
  Dep-P Fr= 1--      0.3471                 0.5797                 0.7500
  Dep-U Fr= 1--      0.5153                 0.7340                 0.8571
 Alpha2 Fr= 1--      0.0015                 0.0237                 0.0000
 Beta2  Fr= 1--      0.0144                 0.9075                 0.0117
 AlphaG Fr= 1--     -0.0727                 0.3023                 0.0000
 Gamma2 Fr= 1--      0.5132                 1.6228                 0.8925
 Delta2 Fr= 1--      0.1206                 3.4781                 0.1940
 Raman1 Fr= 1--       0.670                 29.673                  0.327
 ROA1   Fr= 1--      53.126                267.090                 91.891
 CID1   Fr= 1--      79.343                  9.001                281.132
 Raman2 Fr= 1--       0.173                 10.890                  0.140
 ROA2   Fr= 1--      11.351                 11.123                 19.869
 CID2   Fr= 1--      65.799                  1.021                141.839
 Raman3 Fr= 1--       0.345                 21.780                  0.280
 ROA3   Fr= 1--      53.126                267.090                 91.891
 CID3   Fr= 1--     153.974                 12.263                327.987
 RC180  Fr= 1--       0.031                  0.468                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.08   0.07    -0.11   0.01   0.03    -0.05   0.04   0.03
     2   6    -0.00  -0.00   0.00     0.00   0.06  -0.00     0.09  -0.00  -0.16
     3   6     0.03   0.07  -0.07    -0.00  -0.01   0.00    -0.01  -0.04   0.06
     4   6    -0.00  -0.01   0.01     0.02  -0.01  -0.01    -0.03   0.00  -0.02
     5   6     0.03  -0.08  -0.07     0.11   0.01  -0.03    -0.05  -0.04   0.03
     6   6    -0.03   0.07   0.07     0.00  -0.01  -0.00    -0.01   0.04   0.06
     7   6     0.00  -0.01  -0.01    -0.02  -0.01   0.01    -0.03  -0.00  -0.02
     8   1    -0.20  -0.23   0.35    -0.18  -0.11   0.10    -0.12  -0.06  -0.01
     9   1     0.16   0.40  -0.18    -0.64  -0.12  -0.08     0.61   0.18   0.06
    10   1     0.20  -0.23  -0.35     0.18  -0.11  -0.10    -0.12   0.06  -0.01
    11   1    -0.16   0.40   0.18     0.64  -0.12   0.08     0.61  -0.18   0.06
    12   1    -0.04  -0.09   0.08     0.02  -0.02  -0.00     0.11  -0.06  -0.01
    13   1     0.04   0.11  -0.10     0.03  -0.03  -0.04    -0.07   0.14   0.08
    14   1    -0.04   0.11   0.10    -0.03  -0.03   0.04    -0.07  -0.14   0.08
    15   1     0.04  -0.09  -0.08    -0.02  -0.02   0.00     0.11   0.06  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1091.3070              1128.8599              1156.0010
 Red. masses --      1.5642                 2.0981                 2.4078
 Frc consts  --      1.0976                 1.5753                 1.8958
 IR Inten    --      1.8937                28.2433                 7.3787
 RamAct Fr= 1--      1.0975                 0.8993                 2.9051
  Dep-P Fr= 1--      0.2781                 0.7500                 0.1252
  Dep-U Fr= 1--      0.4352                 0.8571                 0.2225
 Alpha2 Fr= 1--      0.0120                 0.0000                 0.0478
 Beta2  Fr= 1--      0.0796                 0.1285                 0.1077
 AlphaG Fr= 1--      0.1921                 0.0000                 0.3825
 Gamma2 Fr= 1--     -1.1471                -1.2214                -1.2866
 Delta2 Fr= 1--      0.7728                -0.4656                -0.5667
 Raman1 Fr= 1--       4.390                  3.597                 11.620
 ROA1   Fr= 1--     -85.391               -132.157               -141.643
 CID1   Fr= 1--     -19.450                -36.738                -12.189
 Raman2 Fr= 1--       0.955                  1.542                  1.293
 ROA2   Fr= 1--     -33.713                -25.589                -26.344
 CID2   Fr= 1--     -35.293                -16.599                -20.377
 Raman3 Fr= 1--       1.910                  3.083                  2.586
 ROA3   Fr= 1--     -85.391               -132.157               -141.643
 CID3   Fr= 1--     -44.696                -42.861                -54.779
 RC180  Fr= 1--      -0.130                  0.714                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.01    -0.04  -0.04  -0.08    -0.00  -0.10  -0.07
     2   6     0.00   0.16   0.00    -0.04   0.00   0.09    -0.00   0.12   0.00
     3   6    -0.04  -0.03  -0.02     0.11   0.07   0.09     0.11   0.05   0.12
     4   6     0.04   0.02   0.03    -0.08  -0.03  -0.06    -0.08  -0.03  -0.06
     5   6    -0.03  -0.07  -0.01    -0.04   0.04  -0.08     0.00  -0.10   0.07
     6   6     0.04  -0.03   0.02     0.11  -0.07   0.09    -0.11   0.05  -0.12
     7   6    -0.04   0.02  -0.03    -0.08   0.03  -0.06     0.08  -0.03   0.06
     8   1     0.54   0.10   0.18     0.19   0.12  -0.01     0.26  -0.01   0.12
     9   1    -0.11   0.09  -0.06    -0.07   0.05  -0.08    -0.08   0.01   0.03
    10   1    -0.54   0.10  -0.18     0.19  -0.12  -0.01    -0.26  -0.01  -0.12
    11   1     0.11   0.09   0.06    -0.07  -0.05  -0.08     0.08   0.01  -0.03
    12   1    -0.21   0.09   0.04     0.38  -0.17  -0.06     0.34  -0.19  -0.03
    13   1     0.12  -0.15  -0.17    -0.20   0.29   0.29    -0.18   0.33   0.23
    14   1    -0.12  -0.15   0.17    -0.20  -0.29   0.29     0.18   0.33  -0.23
    15   1     0.21   0.09  -0.04     0.38   0.17  -0.06    -0.34  -0.19   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1309.2214              1444.3783              1445.4673
 Red. masses --      3.4845                 1.0925                 1.0902
 Frc consts  --      3.5190                 1.3429                 1.3421
 IR Inten    --     25.2821                 0.8215                 2.2876
 RamAct Fr= 1--      6.3518                29.8300                13.5358
  Dep-P Fr= 1--      0.7500                 0.5404                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7017                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.1202                 0.0000
 Beta2  Fr= 1--      0.9074                 3.4884                 1.9337
 AlphaG Fr= 1--      0.0000                -0.0577                -0.0000
 Gamma2 Fr= 1--     -1.7337                -9.3907                 5.4705
 Delta2 Fr= 1--     -2.7580                 2.7357                 0.1045
 Raman1 Fr= 1--      25.407                119.320                 54.143
 ROA1   Fr= 1--    -254.693               -813.970                528.516
 CID1   Fr= 1--     -10.024                 -6.822                  9.761
 Raman2 Fr= 1--      10.889                 41.861                 23.204
 ROA2   Fr= 1--     -19.545               -247.264                130.457
 CID2   Fr= 1--      -1.795                 -5.907                  5.622
 Raman3 Fr= 1--      21.778                 83.722                 46.409
 ROA3   Fr= 1--    -254.693               -813.970                528.516
 CID3   Fr= 1--     -11.695                 -9.722                 11.388
 RC180  Fr= 1--       0.714                  0.403                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.03  -0.06    -0.02  -0.02  -0.03    -0.01  -0.03  -0.04
     2   6     0.37  -0.00   0.17    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     3   6     0.01  -0.07  -0.07     0.02  -0.03  -0.02     0.01  -0.02  -0.01
     4   6    -0.07   0.07   0.05     0.01  -0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.06   0.03  -0.06     0.02  -0.02   0.03    -0.01   0.03  -0.04
     6   6     0.01   0.07  -0.07    -0.02  -0.03   0.02     0.01   0.02  -0.01
     7   6    -0.07  -0.07   0.05    -0.01  -0.01   0.00     0.01   0.01  -0.00
     8   1    -0.08   0.06  -0.19    -0.02   0.04  -0.38     0.01  -0.05   0.45
     9   1    -0.10   0.15  -0.11    -0.13   0.35  -0.10     0.15  -0.42   0.11
    10   1    -0.08  -0.06  -0.19     0.02   0.04   0.38     0.01   0.05   0.45
    11   1    -0.10  -0.15  -0.11     0.13   0.35   0.10     0.15   0.42   0.11
    12   1    -0.38   0.19   0.05    -0.31   0.11  -0.01    -0.19   0.07  -0.01
    13   1    -0.15   0.24   0.19    -0.07   0.22   0.21    -0.05   0.14   0.13
    14   1    -0.15  -0.24   0.19     0.07   0.22  -0.21    -0.05  -0.14   0.13
    15   1    -0.38  -0.19   0.05     0.31   0.11   0.01    -0.19  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1471.7454              1489.5646              1805.3585
 Red. masses --      1.1512                 1.3790                 8.6900
 Frc consts  --      1.4691                 1.8028                16.6878
 IR Inten    --      0.4636                 3.9821                 9.4961
 RamAct Fr= 1--     10.5350                19.0871               210.2401
  Dep-P Fr= 1--      0.0932                 0.7500                 0.1028
  Dep-U Fr= 1--      0.1705                 0.8571                 0.1865
 Alpha2 Fr= 1--      0.1876                 0.0000                 3.6555
 Beta2  Fr= 1--      0.2993                 2.7267                 6.5344
 AlphaG Fr= 1--      0.0544                -0.0000                 1.8787
 Gamma2 Fr= 1--      0.4031                -0.7535               -28.0600
 Delta2 Fr= 1--      0.5626                -5.1875                 6.9253
 Raman1 Fr= 1--      42.140                 76.348                840.961
 ROA1   Fr= 1--      56.703               -238.331              -2472.149
 CID1   Fr= 1--       1.346                 -3.122                 -2.940
 Raman2 Fr= 1--       3.592                 32.721                 78.413
 ROA2   Fr= 1--       5.174                 23.417               -728.842
 CID2   Fr= 1--       1.441                  0.716                 -9.295
 Raman3 Fr= 1--       7.183                 65.441                156.826
 ROA3   Fr= 1--      56.703               -238.331              -2472.149
 CID3   Fr= 1--       7.894                 -3.642                -15.764
 RC180  Fr= 1--      -0.659                  0.714                 -0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.04    -0.01  -0.04  -0.04    -0.01   0.06   0.06
     2   6     0.00  -0.02   0.00     0.10  -0.00   0.03    -0.00   0.06  -0.00
     3   6    -0.03   0.02   0.01    -0.03   0.01   0.00     0.34  -0.29  -0.18
     4   6    -0.03   0.03   0.02    -0.06   0.05   0.03    -0.23   0.20   0.12
     5   6     0.00  -0.03   0.04    -0.01   0.04  -0.04     0.01   0.06  -0.06
     6   6     0.03   0.02  -0.01    -0.03  -0.01   0.00    -0.34  -0.29   0.18
     7   6     0.03   0.03  -0.02    -0.06  -0.05   0.03     0.23   0.20  -0.12
     8   1    -0.01   0.02  -0.32    -0.03  -0.01   0.18     0.02   0.05   0.04
     9   1    -0.09   0.30  -0.07     0.05  -0.18   0.03     0.03  -0.03  -0.04
    10   1     0.01   0.02   0.32    -0.03   0.01   0.18    -0.02   0.05  -0.04
    11   1     0.09   0.30   0.07     0.05   0.18   0.03    -0.03  -0.03   0.04
    12   1     0.36  -0.11   0.02     0.43  -0.13   0.04     0.20   0.07   0.16
    13   1     0.08  -0.28  -0.26     0.08  -0.32  -0.32    -0.16  -0.10  -0.18
    14   1    -0.08  -0.28   0.26     0.08   0.32  -0.32     0.16  -0.10   0.18
    15   1    -0.36  -0.11  -0.02     0.43   0.13   0.04    -0.20   0.07  -0.16
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1848.5134              3093.6953              3094.2841
 Red. masses --      9.4405                 1.0511                 1.0513
 Frc consts  --     19.0061                 5.9271                 5.9308
 IR Inten    --     51.9886                13.4649                18.2833
 RamAct Fr= 1--     60.8594               406.6143                30.6877
  Dep-P Fr= 1--      0.7500                 0.0296                 0.7499
  Dep-U Fr= 1--      0.8571                 0.0574                 0.8571
 Alpha2 Fr= 1--      0.0000                 8.4305                 0.0000
 Beta2  Fr= 1--      8.6942                 3.8918                 4.3838
 AlphaG Fr= 1--      0.0000                 1.4549                 0.0000
 Gamma2 Fr= 1--     28.5972               -20.9564                26.7015
 Delta2 Fr= 1--    -10.8690                -3.1549                -8.8429
 Raman1 Fr= 1--     243.438               1626.457                122.751
 ROA1   Fr= 1--    2397.526              -2112.774               2280.373
 CID1   Fr= 1--       9.849                 -1.299                 18.577
 Raman2 Fr= 1--     104.330                 46.701                 52.605
 ROA2   Fr= 1--     773.285               -477.716                711.580
 CID2   Fr= 1--       7.412                -10.229                 13.527
 Raman3 Fr= 1--     208.661                 93.403                105.210
 ROA3   Fr= 1--    2397.526              -2112.774               2280.373
 CID3   Fr= 1--      11.490                -22.620                 21.674
 RC180  Fr= 1--       0.714                 -0.885                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.08   0.08    -0.01  -0.03  -0.03    -0.01  -0.03  -0.03
     2   6    -0.28   0.00  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.35  -0.30  -0.18    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.21   0.19   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.08   0.08     0.01  -0.03   0.03    -0.01   0.03  -0.03
     6   6     0.35   0.30  -0.18     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.21  -0.19   0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1     0.04  -0.06   0.00    -0.17   0.47   0.09     0.17  -0.47  -0.09
     9   1    -0.01   0.02   0.07     0.06  -0.14  -0.46    -0.06   0.14   0.46
    10   1     0.04   0.06   0.00     0.17   0.47  -0.09     0.17   0.47  -0.09
    11   1    -0.01  -0.02   0.07    -0.06  -0.14   0.46    -0.06  -0.14   0.47
    12   1     0.16   0.09   0.15     0.00   0.01   0.01     0.00   0.01   0.01
    13   1    -0.15  -0.09  -0.15    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    14   1    -0.15   0.09  -0.15     0.01  -0.00   0.00    -0.01   0.00  -0.01
    15   1     0.16  -0.09   0.15    -0.00   0.01  -0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3132.6092              3132.8525              3171.9668
 Red. masses --      1.0573                 1.0573                 1.1170
 Frc consts  --      6.1129                 6.1138                 6.6213
 IR Inten    --     16.8296                 5.4329                 5.3986
 RamAct Fr= 1--     50.8447               322.3197               171.5489
  Dep-P Fr= 1--      0.7498                 0.0418                 0.7471
  Dep-U Fr= 1--      0.8570                 0.0802                 0.8553
 Alpha2 Fr= 1--      0.0002                 6.4923                 0.0084
 Beta2  Fr= 1--      7.2623                 4.3092                24.4532
 AlphaG Fr= 1--     -0.0001                -1.8689                -0.2235
 Gamma2 Fr= 1--     -9.4157                 8.7412                -8.7681
 Delta2 Fr= 1--     -6.5289                -0.8743                 0.7634
 Raman1 Fr= 1--     203.379               1289.279                686.196
 ROA1   Fr= 1--   -1112.829                811.178               -817.306
 CID1   Fr= 1--      -5.472                  0.629                 -1.191
 Raman2 Fr= 1--      87.148                 51.710                293.438
 ROA2   Fr= 1--    -173.745                216.783               -216.540
 CID2   Fr= 1--      -1.994                  4.192                 -0.738
 Raman3 Fr= 1--     174.296                103.420                586.876
 ROA3   Fr= 1--   -1112.829                811.178               -817.306
 CID3   Fr= 1--      -6.385                  7.844                 -1.393
 RC180  Fr= 1--       0.714                 -0.840                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.05
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.03   0.03   0.02    -0.03   0.03   0.02     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.05
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03  -0.03   0.02     0.03   0.03  -0.02    -0.00   0.00  -0.00
     8   1     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.16   0.45   0.07
     9   1    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.06   0.13   0.49
    10   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.16   0.45  -0.07
    11   1    -0.00  -0.00   0.02    -0.00  -0.00   0.01     0.06   0.13  -0.49
    12   1    -0.11  -0.31  -0.38    -0.11  -0.31  -0.38    -0.00  -0.00   0.00
    13   1     0.46  -0.00   0.19     0.46  -0.00   0.19    -0.00   0.00  -0.00
    14   1     0.46   0.00   0.19    -0.46  -0.00  -0.19     0.00   0.00   0.00
    15   1    -0.11   0.31  -0.38     0.11  -0.31   0.38     0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3172.8859              3212.6937              3212.7775
 Red. masses --      1.1156                 1.1164                 1.1164
 Frc consts  --      6.6173                 6.7893                 6.7896
 IR Inten    --      5.4492                12.7560                 1.7202
 RamAct Fr= 1--     27.3932                48.8231               203.3884
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7093
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8299
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1436
 Beta2  Fr= 1--      3.9133                 6.9746                28.1326
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.4754
 Gamma2 Fr= 1--     28.3722               -21.2420                13.5816
 Delta2 Fr= 1--      8.1626                 4.4974                 5.1685
 Raman1 Fr= 1--     109.573                195.292                813.553
 ROA1   Fr= 1--    2984.937              -1895.315               1469.231
 CID1   Fr= 1--      27.242                 -9.705                  1.806
 Raman2 Fr= 1--      46.960                 83.695                337.591
 ROA2   Fr= 1--     615.633               -545.787                284.611
 CID2   Fr= 1--      13.110                 -6.521                  0.843
 Raman3 Fr= 1--      93.920                167.389                675.181
 ROA3   Fr= 1--    2984.937              -1895.315               1469.231
 CID3   Fr= 1--      31.782                -11.323                  2.176
 RC180  Fr= 1--       0.714                  0.714                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.05  -0.02  -0.05    -0.05  -0.03  -0.05
     5   6     0.02  -0.05  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.05   0.03  -0.05     0.05  -0.02   0.05
     8   1    -0.16   0.45   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1    -0.06   0.13   0.49     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.16  -0.46   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.06  -0.13   0.49     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00     0.10   0.31   0.37     0.10   0.32   0.38
    13   1    -0.00  -0.00  -0.00     0.46  -0.01   0.18     0.47  -0.01   0.18
    14   1    -0.00   0.00  -0.00     0.47   0.01   0.18    -0.46  -0.01  -0.18
    15   1     0.00  -0.00  -0.00     0.10  -0.31   0.38    -0.10   0.31  -0.37

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Molecular mass:    92.06260 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   360.58436 960.890031017.99593
           X            1.00000  -0.00000   0.00102
           Y            0.00000   1.00000  -0.00000
           Z           -0.00102   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.24020     0.09014     0.08508
 Rotational constants (GHZ):           5.00505     1.87820     1.77284
 Zero-point vibrational energy     322282.1 (Joules/Mol)
                                   77.02727 (Kcal/Mol)
 Warning -- explicit consideration of   7 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    148.93   255.15   275.86   460.71   548.94
          (Kelvin)            591.24   686.71   898.21   954.49  1000.32
                             1076.78  1164.46  1274.82  1315.96  1316.92
                             1366.84  1442.25  1475.95  1490.07  1523.29
                             1547.16  1570.15  1624.18  1663.23  1883.68
                             2078.14  2079.71  2117.51  2143.15  2597.51
                             2659.60  4451.14  4451.98  4507.13  4507.48
                             4563.75  4565.08  4622.35  4622.47
 
 Zero-point correction=                           0.122751 (Hartree/Particle)
 Thermal correction to Energy=                    0.129773
 Thermal correction to Enthalpy=                  0.130717
 Thermal correction to Gibbs Free Energy=         0.092005
 Sum of electronic and zero-point Energies=           -271.411651
 Sum of electronic and thermal Energies=              -271.404629
 Sum of electronic and thermal Enthalpies=            -271.403685
 Sum of electronic and thermal Free Energies=         -271.442398
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   81.434             26.525             81.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.471
 Rotational               0.889              2.981             27.358
 Vibrational             79.656             20.563             14.647
 Vibration     1          0.605              1.946              3.387
 Vibration     2          0.628              1.870              2.356
 Vibration     3          0.634              1.851              2.211
 Vibration     4          0.706              1.635              1.309
 Vibration     5          0.751              1.510              1.033
 Vibration     6          0.775              1.446              0.923
 Vibration     7          0.834              1.300              0.717
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.479622D-42        -42.319101        -97.443331
 Total V=0       0.138766D+15         14.142284         32.563813
 Vib (Bot)       0.649772D-55        -55.187239       -127.073313
 Vib (Bot)    1  0.198132D+01          0.296954          0.683763
 Vib (Bot)    2  0.113361D+01          0.054462          0.125404
 Vib (Bot)    3  0.104318D+01          0.018360          0.042274
 Vib (Bot)    4  0.586993D+00         -0.231367         -0.532743
 Vib (Bot)    5  0.473387D+00         -0.324784         -0.747843
 Vib (Bot)    6  0.430240D+00         -0.366289         -0.843413
 Vib (Bot)    7  0.351228D+00         -0.454411         -1.046321
 Vib (V=0)       0.187995D+02          1.274146          2.933831
 Vib (V=0)    1  0.254343D+01          0.405421          0.933515
 Vib (V=0)    2  0.173898D+01          0.240294          0.553297
 Vib (V=0)    3  0.165682D+01          0.219275          0.504898
 Vib (V=0)    4  0.127108D+01          0.104172          0.239865
 Vib (V=0)    5  0.118855D+01          0.075016          0.172730
 Vib (V=0)    6  0.115963D+01          0.064318          0.148097
 Vib (V=0)    7  0.111103D+01          0.045727          0.105290
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.347199D+08          7.540579         17.362824
 Rotational      0.212598D+06          5.327559         12.267158
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333                                                1 1          1111     1    11111111                                       
   22111100                                                8 8          4444     3    110000009998   8 7 66 6     4 43  3   11  1    
   11773399                                                4 0          9744     0    529753205118   0 4 96 2     7 18  2   97  0    
   33323344                                                9 5          0254     9    691596620556   9 8 53 4     7 12  0   27  4    
 
   XXXXXXXX                                                X X          XXXX     X    XXXXXXXXXXXX   X X X  X     X XX  X    X  X    
    XXXXXXX                                                X X          X        X    XX X     XXX     X          X     X            
    X   XXX                                                X X                   X    XX       XXX                                   
    X   XXX                                                X X                   X     X       XXX                                   
    X   XXX                                                X                     X     X       XXX                                   
        XX                                                 X                     X     X       XXX                                   
         X                                                 X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                     X     X       XXX                                   
                                                           X                           X       XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XXX                                   
                                                           X                                   XX                                    
                                                           X                                    X                                    
                                                           X                                                                         
                                                           X                                                                         
                                                           X                                                                         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000237   -0.000001110   -0.000001583
      2        6          -0.000000601    0.000000846    0.000000603
      3        6           0.000000384    0.000000780    0.000000155
      4        6           0.000000514    0.000000411   -0.000000458
      5        6          -0.000000527   -0.000000140   -0.000000406
      6        6           0.000000924    0.000000056    0.000001234
      7        6          -0.000000464   -0.000000285    0.000000268
      8        1          -0.000000310    0.000000080    0.000000346
      9        1          -0.000000411   -0.000000120    0.000000121
     10        1           0.000000469    0.000000127   -0.000000147
     11        1           0.000000365    0.000000087    0.000000077
     12        1          -0.000000566   -0.000000370   -0.000000960
     13        1          -0.000000263   -0.000000255   -0.000000759
     14        1          -0.000000003    0.000000106    0.000001009
     15        1           0.000000253   -0.000000212    0.000000499
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001583 RMS     0.000000561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118743D+03 -0.350283D-05 -0.470914D+01
      2  -0.350283D-05  0.833522D+02 -0.229985D-04
      3  -0.470914D+01 -0.229985D-04  0.760700D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.538987D+01 -0.909990D-04  0.462389D+01
      2   0.439943D-04  0.191213D+02  0.249328D-03
      3   0.342316D+02  0.389522D-03 -0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.106386D-02 -0.774096D+02 -0.892069D-03
      2  -0.155655D-02  0.275763D+02  0.255350D-03
      3   0.492683D-03  0.498333D+02  0.636719D-03
      4  -0.110447D+03 -0.142481D-02  0.597696D+02
      5  -0.941532D-03  0.610538D+02  0.119536D-02
      6   0.409105D+02 -0.973562D-04  0.378708D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106937D+02  0.424673D+01  0.578287D+01 -0.269620D+01 -0.140666D+01
      2   0.424673D+01 -0.260998D+01  0.303198D+00 -0.140666D+01 -0.457021D+01
      3   0.578287D+01  0.303198D+00  0.194494D+01  0.107708D+00  0.594197D-01
                 6             7             8             9            10 
      1   0.107708D+00  0.353862D+01  0.302089D+01  0.244543D+01  0.672288D-03
      2   0.594197D-01  0.302089D+01  0.205481D+01  0.698315D+00 -0.110141D+02
      3   0.255378D+01  0.244543D+01  0.698315D+00 -0.484628D+01 -0.114630D-03
                11            12            13            14            15 
      1  -0.110141D+02 -0.114630D-03 -0.830546D+01  0.162066D-03 -0.485533D+01
      2   0.655558D-04 -0.120868D+01  0.162066D-03 -0.147819D+01  0.923307D-05
      3  -0.120868D+01  0.120532D-04 -0.485533D+01  0.923307D-05 -0.130315D+01
                16            17            18            19            20 
      1  -0.132691D-03 -0.709236D+01 -0.128918D-03 -0.124956D+02  0.788810D+01
      2  -0.709236D+01  0.234849D-05 -0.154176D+01  0.788810D+01 -0.640077D+01
      3  -0.128918D-03 -0.154176D+01 -0.106822D-03  0.380954D+01 -0.295159D+00
                21            22            23            24            25 
      1   0.380954D+01  0.145252D+02 -0.533214D+01 -0.495987D+00  0.117201D+02
      2  -0.295159D+00 -0.533214D+01  0.725794D+01 -0.377182D+00 -0.687745D+00
      3  -0.376808D+01 -0.495987D+00 -0.377182D+00  0.136962D+01 -0.158414D+01
                26            27            28            29            30 
      1  -0.687745D+00 -0.158414D+01  0.633835D+01 -0.428368D+01 -0.747943D+01
      2   0.951989D+00  0.322007D+00 -0.428368D+01  0.521817D+01  0.832162D+00
      3   0.322007D+00  0.274304D+01 -0.747943D+01  0.832162D+00  0.464795D+01
                31            32            33            34            35 
      1  -0.799085D+01  0.831090D+01 -0.916164D+00 -0.123882D+02  0.128178D+00
      2   0.831090D+01 -0.935492D+01  0.259155D+01  0.128178D+00  0.253162D+01
      3  -0.916164D+00  0.259155D+01  0.115146D+01  0.582923D+01  0.987123D+00
                36            37            38            39            40 
      1   0.582923D+01 -0.106938D+02  0.424685D+01 -0.578276D+01 -0.269616D+01
      2   0.987123D+00  0.424685D+01  0.260996D+01  0.303328D+00  0.140658D+01
      3  -0.264956D+01 -0.578276D+01  0.303328D+00 -0.194498D+01  0.107813D+00
                41            42            43            44            45 
      1   0.140658D+01  0.107813D+00 -0.353858D+01  0.302105D+01 -0.244543D+01
      2  -0.457027D+01 -0.595150D-01  0.302105D+01 -0.205489D+01  0.697993D+00
      3  -0.595150D-01  0.255354D+01 -0.244543D+01  0.697993D+00  0.484663D+01
                46            47            48            49            50 
      1   0.124945D+02  0.788803D+01 -0.380940D+01  0.145252D+02  0.533212D+01
      2   0.788803D+01  0.640072D+01 -0.295170D+00  0.533212D+01  0.725808D+01
      3  -0.380940D+01 -0.295170D+00  0.376804D+01 -0.496020D+00  0.377141D+00
                51            52            53            54            55 
      1  -0.496020D+00 -0.117199D+02 -0.687747D+00  0.158421D+01 -0.633780D+01
      2   0.377141D+00 -0.687747D+00 -0.952021D+00  0.322181D+00 -0.428367D+01
      3   0.136979D+01  0.158421D+01  0.322181D+00 -0.274322D+01  0.747935D+01
                56            57            58            59            60 
      1  -0.428367D+01  0.747935D+01 -0.799080D+01 -0.831084D+01 -0.916050D+00
      2  -0.521817D+01  0.832294D+00 -0.831084D+01 -0.935486D+01 -0.259168D+01
      3   0.832294D+00 -0.464800D+01 -0.916050D+00 -0.259168D+01  0.115127D+01
                61            62            63            64            65 
      1   0.123881D+02  0.128287D+00 -0.582934D+01 -0.113141D+01  0.170385D+01
      2   0.128287D+00 -0.253175D+01  0.986911D+00  0.170385D+01 -0.316867D+01
      3  -0.582934D+01  0.986911D+00  0.264974D+01  0.846219D-01  0.791279D+00
                66            67            68            69            70 
      1   0.846219D-01  0.377893D+01 -0.323041D+01  0.832438D+00  0.153798D+01
      2   0.791279D+00 -0.323041D+01  0.109678D+02 -0.223743D+01 -0.382181D+00
      3  -0.746613D+00  0.832438D+00 -0.223743D+01  0.164303D+01 -0.476660D+00
                71            72            73            74            75 
      1  -0.382181D+00 -0.476660D+00  0.105828D+01 -0.100740D+00 -0.494510D+00
      2   0.826338D+00  0.132297D+01 -0.100740D+00 -0.414862D+00 -0.782164D-01
      3   0.132297D+01 -0.125884D+01 -0.494510D+00 -0.782164D-01  0.110764D+01
                76            77            78            79            80 
      1  -0.648917D+00 -0.545589D+00  0.371032D-01 -0.204484D+01 -0.309646D+00
      2  -0.545589D+00  0.665508D+00 -0.123604D+01 -0.309646D+00 -0.177498D+01
      3   0.371032D-01 -0.123604D+01 -0.187196D+01 -0.808634D+00  0.170091D+01
                81            82            83            84            85 
      1  -0.808634D+00  0.113138D+01  0.170382D+01 -0.845909D-01  0.377896D+01
      2   0.170091D+01  0.170382D+01  0.316859D+01  0.791328D+00  0.323037D+01
      3  -0.115156D+02 -0.845909D-01  0.791328D+00  0.746641D+00  0.832497D+00
                86            87            88            89            90 
      1   0.323037D+01  0.832497D+00 -0.153787D+01 -0.382088D+00  0.476679D+00
      2   0.109677D+02  0.223760D+01 -0.382088D+00 -0.826103D+00  0.132298D+01
      3   0.223760D+01  0.164310D+01  0.476679D+00  0.132298D+01  0.125892D+01
                91            92            93            94            95 
      1  -0.105826D+01 -0.100763D+00  0.494499D+00 -0.648945D+00  0.545600D+00
      2  -0.100763D+00  0.414876D+00 -0.781716D-01  0.545600D+00  0.665370D+00
      3   0.494499D+00 -0.781716D-01 -0.110762D+01  0.370943D-01  0.123606D+01
                96            97            98            99           100 
      1   0.370943D-01  0.204483D+01 -0.309648D+00  0.808624D+00  0.219471D+01
      2   0.123606D+01 -0.309648D+00  0.177490D+01  0.170064D+01 -0.126157D+01
      3  -0.187223D+01  0.808624D+00  0.170064D+01  0.115155D+02 -0.357006D+00
               101           102           103           104           105 
      1  -0.126157D+01 -0.357006D+00 -0.189808D+01  0.130680D+01  0.159397D+01
      2  -0.368226D+00 -0.736704D+00  0.130680D+01 -0.380757D+01 -0.337151D+01
      3  -0.736704D+00 -0.125436D+01  0.159397D+01 -0.337151D+01 -0.380176D+01
               106           107           108           109           110 
      1  -0.783768D+00  0.141910D+01  0.101348D+01  0.136139D+02 -0.268560D+01
      2   0.141910D+01 -0.436530D+01 -0.368266D+01 -0.268560D+01  0.169595D+01
      3   0.101348D+01 -0.368266D+01 -0.456169D+01  0.160354D+01 -0.212340D+00
               111           112           113           114           115 
      1   0.160354D+01 -0.917365D+00  0.131106D+01  0.126853D+01  0.481007D+01
      2  -0.212340D+00  0.131106D+01 -0.419215D+00 -0.543732D+00  0.357456D+00
      3   0.117187D+01  0.126853D+01 -0.543732D+00 -0.392404D+00  0.153400D+01
               116           117           118           119           120 
      1   0.357456D+00  0.153400D+01 -0.136139D+02 -0.268569D+01 -0.160358D+01
      2  -0.587799D+00 -0.577519D+00 -0.268569D+01 -0.169598D+01 -0.212373D+00
      3  -0.577519D+00  0.556819D+00 -0.160358D+01 -0.212373D+00 -0.117185D+01
               121           122           123           124           125 
      1  -0.917479D+00 -0.131115D+01  0.126850D+01 -0.481012D+01  0.357398D+00
      2  -0.131115D+01 -0.419305D+00  0.543748D+00  0.357398D+00  0.587807D+00
      3   0.126850D+01  0.543748D+00 -0.392415D+00 -0.153395D+01 -0.577500D+00
               126           127           128           129           130 
      1  -0.153395D+01 -0.219467D+01 -0.126156D+01  0.356978D+00 -0.189806D+01
      2  -0.577500D+00 -0.126156D+01  0.368319D+00 -0.736780D+00 -0.130682D+01
      3  -0.556840D+00  0.356978D+00 -0.736780D+00  0.125440D+01  0.159390D+01
               131           132           133           134           135 
      1  -0.130682D+01  0.159390D+01  0.783754D+00  0.141906D+01 -0.101337D+01
      2  -0.380776D+01  0.337156D+01  0.141906D+01  0.436538D+01 -0.368259D+01
      3   0.337156D+01 -0.380169D+01 -0.101337D+01 -0.368259D+01  0.456148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.145338D+01 -0.416798D+01 -0.387907D+01 -0.568546D+00 -0.115791D+02
      2   0.120174D+01 -0.171383D+00  0.259671D+01 -0.520220D+01  0.721627D+01
      3   0.380346D+01  0.407736D+01  0.551657D+01  0.660341D+01  0.324521D+01
                 6             7             8             9            10 
      1  -0.966730D+01 -0.241376D+01  0.887687D+01  0.129633D+02 -0.187163D-03
      2   0.592737D+01 -0.244815D+01 -0.113214D+01 -0.969560D+01  0.651676D+01
      3   0.472799D+00  0.406628D+01 -0.155824D+01 -0.111991D+01  0.507077D-03
                11            12            13            14            15 
      1   0.446996D+00  0.171806D-04 -0.109948D+02  0.323144D-04 -0.269380D+01
      2  -0.187532D-04  0.115305D+02  0.000000D+00 -0.394753D+01 -0.625299D-04
      3  -0.193626D+02 -0.100615D-04  0.196381D+02  0.799884D-04 -0.870055D+00
                16            17            18            19            20 
      1  -0.152008D-03  0.707577D+00  0.738126D-05 -0.350768D+00  0.412846D+01
      2  -0.241089D+02 -0.150854D-03  0.246377D+01  0.235257D+01  0.311443D+01
      3  -0.221438D-04 -0.418193D+01 -0.181891D-05  0.971174D+00  0.955948D+01
                21            22            23            24            25 
      1  -0.681817D+01  0.303565D+01 -0.888318D+01 -0.747583D+00 -0.102196D+02
      2  -0.667769D+01 -0.337895D+00 -0.426730D+01  0.473824D+01 -0.176938D+02
      3  -0.773766D+01  0.210918D+02 -0.203745D+02  0.339112D+01  0.158476D+00
                26            27            28            29            30 
      1   0.501402D+01  0.551381D+01 -0.656396D+01 -0.388575D+01  0.631076D+01
      2   0.217075D+01  0.602489D+01 -0.173980D+02  0.483928D+01  0.123197D+02
      3  -0.196246D-01  0.610797D+01  0.109765D+02 -0.158219D+02  0.105531D+01
                31            32            33            34            35 
      1  -0.268199D+01  0.362050D+01 -0.381890D+01  0.221698D+01  0.447868D+01
      2  -0.259046D+01  0.988696D+01  0.282390D+01  0.201791D+01  0.766496D+01
      3  -0.979084D+01  0.166703D+02 -0.976112D+01  0.803438D+01 -0.717197D+01
                36            37            38            39            40 
      1   0.108120D+01 -0.145338D+01 -0.416816D+01  0.387899D+01 -0.568706D+00
      2  -0.441590D+01  0.120166D+01  0.171149D+00  0.259689D+01  0.520187D+01
      3  -0.932347D+01 -0.380350D+01  0.407763D+01 -0.551642D+01  0.660360D+01
                41            42            43            44            45 
      1   0.115791D+02 -0.966662D+01  0.241366D+01  0.887761D+01 -0.129635D+02
      2   0.721636D+01 -0.592686D+01 -0.244770D+01  0.113295D+01 -0.969618D+01
      3  -0.324511D+01  0.472612D+00 -0.406610D+01 -0.155827D+01  0.111954D+01
                46            47            48            49            50 
      1   0.351087D+00  0.412824D+01  0.681822D+01  0.303552D+01  0.888319D+01
      2   0.235281D+01 -0.311410D+01 -0.667786D+01  0.338334D+00 -0.426714D+01
      3  -0.971776D+00  0.955893D+01  0.773755D+01  0.210916D+02  0.203742D+02
                51            52            53            54            55 
      1  -0.747268D+00  0.102197D+02  0.501431D+01 -0.551375D+01  0.656385D+01
      2  -0.473866D+01 -0.176942D+02 -0.217122D+01  0.602527D+01 -0.173980D+02
      3   0.339145D+01 -0.158494D+00 -0.191736D-01 -0.610776D+01 -0.109764D+02
                56            57            58            59            60 
      1  -0.388551D+01 -0.631088D+01 -0.268179D+01 -0.362056D+01 -0.381900D+01
      2  -0.483984D+01  0.123199D+02  0.258999D+01  0.988707D+01 -0.282348D+01
      3  -0.158219D+02 -0.105498D+01 -0.979065D+01 -0.166698D+02 -0.976160D+01
                61            62            63            64            65 
      1  -0.221708D+01  0.447869D+01 -0.108105D+01 -0.189170D+01  0.382440D+01
      2   0.201857D+01 -0.766446D+01 -0.441666D+01 -0.296787D+01  0.125239D+01
      3  -0.803425D+01 -0.717255D+01  0.932318D+01  0.180033D+01 -0.340682D+01
                66            67            68            69            70 
      1  -0.519991D+00  0.279670D+01 -0.122118D+02 -0.166596D+01  0.275645D+00
      2   0.143845D+01  0.213152D+01 -0.139678D+01 -0.148650D+01  0.539510D-01
      3   0.101730D+01  0.285683D+01  0.908854D+01 -0.212369D+01  0.961374D+00
                71            72            73            74            75 
      1  -0.232313D+01  0.338284D+00  0.155613D+01 -0.470141D+00 -0.120955D+01
      2  -0.220540D+01  0.142051D+01  0.300458D+01 -0.602434D+00 -0.600086D+00
      3   0.373210D+00  0.988340D+00 -0.101676D+01 -0.175996D+01  0.134712D+00
                76            77            78            79            80 
      1   0.175113D+00  0.135012D-01  0.362434D+01  0.617096D+00  0.237546D+01
      2  -0.995221D+00  0.102708D+01  0.318251D+01 -0.417846D+01 -0.264587D+01
      3  -0.564901D+00  0.334356D-01 -0.169855D+01 -0.300086D+01 -0.194720D+01
                81            82            83            84            85 
      1   0.126043D+02  0.189167D+01  0.382432D+01  0.520078D+00  0.279664D+01
      2   0.138453D+02 -0.296778D+01 -0.125231D+01  0.143843D+01 -0.213151D+01
      3   0.133873D+00 -0.180034D+01 -0.340679D+01 -0.101734D+01  0.285688D+01
                86            87            88            89            90 
      1   0.122118D+02 -0.166569D+01 -0.275585D+00 -0.232278D+01 -0.338379D+00
      2  -0.139662D+01  0.148648D+01  0.539320D-01  0.220529D+01  0.142058D+01
      3  -0.908844D+01 -0.212382D+01 -0.961282D+00  0.373057D+00 -0.988343D+00
                91            92            93            94            95 
      1  -0.155614D+01 -0.470189D+00  0.120951D+01  0.175095D+00 -0.136972D-01
      2   0.300450D+01  0.602529D+00 -0.600024D+00  0.995342D+00  0.102708D+01
      3   0.101684D+01 -0.175994D+01 -0.134781D+00 -0.564945D+00 -0.332739D-01
                96            97            98            99           100 
      1   0.362472D+01 -0.617050D+00  0.237582D+01 -0.126041D+02  0.123109D+01
      2  -0.318286D+01 -0.417847D+01  0.264549D+01  0.138451D+02 -0.121033D+01
      3  -0.169861D+01  0.300072D+01 -0.194711D+01 -0.133579D+00  0.201105D+01
               101           102           103           104           105 
      1   0.368641D-01 -0.233927D+01  0.393124D+01 -0.134950D+01 -0.519633D+01
      2  -0.240444D+01 -0.266178D+01  0.823197D+00 -0.790310D+01 -0.926675D+01
      3   0.158569D+01  0.269621D+01 -0.876453D+00  0.892795D+01  0.860123D+01
               106           107           108           109           110 
      1  -0.162657D+01  0.182378D+01 -0.466875D+01  0.313932D+01  0.310817D+00
      2   0.150551D+01 -0.104329D+02 -0.108988D+02  0.105790D+02 -0.301776D+01
      3  -0.157597D+01  0.115278D+02  0.100486D+02 -0.527022D+01 -0.539022D+01
               111           112           113           114           115 
      1   0.121695D+01 -0.107260D-01  0.301500D+00 -0.204625D+00  0.187520D+01
      2   0.684193D+01  0.358561D+01 -0.258952D+01 -0.120571D+01  0.311323D+01
      3  -0.810849D+00  0.545238D+00 -0.503889D+00  0.373923D+00 -0.640983D+01
               116           117           118           119           120 
      1   0.237361D+00 -0.136557D+00 -0.313933D+01  0.310799D+00 -0.121699D+01
      2  -0.624776D+00  0.366744D+01  0.105789D+02  0.301787D+01  0.684188D+01
      3   0.886955D+00  0.167756D+01  0.527021D+01 -0.539021D+01  0.810824D+00
               121           122           123           124           125 
      1  -0.106810D-01 -0.301465D+00 -0.204658D+00 -0.187514D+01  0.237325D+00
      2  -0.358546D+01 -0.258953D+01  0.120578D+01  0.311301D+01  0.624706D+00
      3   0.545053D+00  0.503663D+00  0.373994D+00  0.640971D+01  0.887035D+00
               126           127           128           129           130 
      1   0.136549D+00 -0.123107D+01  0.368277D-01  0.233939D+01  0.393112D+01
      2   0.366750D+01 -0.121038D+01  0.240463D+01 -0.266186D+01 -0.823105D+00
      3  -0.167755D+01 -0.201111D+01  0.158597D+01 -0.269643D+01 -0.876435D+00
               131           132           133           134           135 
      1   0.134963D+01 -0.519641D+01  0.162665D+01  0.182371D+01  0.466865D+01
      2  -0.790330D+01  0.926658D+01  0.150530D+01  0.104328D+02 -0.108983D+02
      3  -0.892847D+01  0.860145D+01  0.157587D+01  0.115280D+02 -0.100485D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356389D+01  0.106067D+02  0.628922D+01  0.363315D+01  0.446344D+01
      2  -0.557520D+01 -0.158744D+02 -0.108369D+02 -0.648232D+01 -0.210725D+02
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      6   0.143602D+02 -0.289476D+01  0.167852D+01 -0.381104D+01 -0.378906D+01
                 6             7             8             9            10 
      1  -0.543051D+01 -0.570397D+01 -0.448128D+00  0.187498D+02  0.264322D+02
      2  -0.550981D+01 -0.195597D+01  0.558253D+01  0.129139D+02 -0.455200D+01
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      6   0.439265D+01  0.694047D+01  0.678954D+01  0.172383D+01  0.541349D-03
                11            12            13            14            15 
      1  -0.901219D-04 -0.861042D+00 -0.157676D-03  0.244628D+01 -0.166800D-04
      2   0.112398D-03  0.639121D+01  0.219250D-03  0.469730D+01  0.152947D-03
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      6  -0.787134D+01 -0.265119D-04 -0.108479D+02  0.295575D-03 -0.374128D+01
                16            17            18            19            20 
      1   0.121249D+02  0.169423D-04 -0.570462D+01 -0.290103D+02  0.554279D+01
      2  -0.984199D+00  0.325841D-03 -0.179501D+00  0.110277D+02  0.958469D+01
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                21            22            23            24            25 
      1   0.149804D+02  0.231263D+02 -0.123041D+02 -0.454794D+01  0.176677D+02
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                26            27            28            29            30 
      1   0.105781D+01 -0.154214D+02 -0.516668D+00 -0.499965D+01 -0.296778D+02
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                31            32            33            34            35 
      1  -0.551009D+01  0.114302D+02  0.110923D+02 -0.462059D+02  0.136923D+02
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      6  -0.137330D+01 -0.118126D+02 -0.296203D+01 -0.603675D+01 -0.215770D+01
                36            37            38            39            40 
      1   0.230024D+02 -0.356390D+01 -0.106067D+02  0.628875D+01 -0.363297D+01
      2  -0.206409D+02 -0.557463D+01  0.158748D+02 -0.108365D+02  0.648265D+01
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      6  -0.865417D+01 -0.143604D+02 -0.289418D+01 -0.167897D+01 -0.381060D+01
                41            42            43            44            45 
      1   0.446349D+01  0.542975D+01 -0.570433D+01  0.447423D+00  0.187507D+02
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      6   0.378803D+01  0.439297D+01 -0.694074D+01  0.678924D+01 -0.172209D+01
                46            47            48            49            50 
      1  -0.290091D+02 -0.554294D+01  0.149803D+02 -0.231264D+02 -0.123043D+02
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      6   0.595633D+01  0.126712D+01 -0.550098D+01  0.602504D+01  0.355227D+01
                51            52            53            54            55 
      1   0.454867D+01  0.176673D+02 -0.105729D+01 -0.154218D+02 -0.517665D+00
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      5  -0.140505D+02 -0.637089D+01  0.384165D+00  0.998951D+01 -0.483031D+02
      6   0.429827D+01 -0.556322D+01  0.694822D+01  0.621570D+01 -0.100028D+02
                56            57            58            59            60 
      1   0.499936D+01 -0.296773D+02  0.550973D+01  0.114306D+02 -0.110933D+02
      2   0.428881D+01  0.214447D+02  0.131803D+02  0.174095D+02  0.647589D+01
      3  -0.928817D+01  0.823254D+01 -0.186900D+02 -0.288401D+02  0.461740D+01
      4   0.281297D+02 -0.890582D+01  0.451831D+02  0.445945D+02  0.710654D+01
      5  -0.687709D+01  0.280578D+02  0.989705D+00  0.853165D+01 -0.356365D+01
      6  -0.435549D+01  0.359740D+01 -0.137304D+01  0.118135D+02 -0.296193D+01
                61            62            63            64            65 
      1  -0.462055D+02 -0.136931D+02  0.230025D+02  0.430946D+01  0.194035D+01
      2   0.328993D+02  0.112095D+02 -0.206412D+02  0.348176D+01 -0.908129D+01
      3   0.133062D+02  0.248362D+01 -0.236127D+01 -0.779121D+01  0.714093D+01
      4  -0.619985D+01  0.729071D+01 -0.222862D+01 -0.109351D+02  0.181291D+02
      5   0.373276D+02 -0.841520D+00 -0.182631D+02  0.997432D+00 -0.481844D+01
      6   0.603736D+01 -0.215749D+01  0.865359D+01 -0.172174D+01  0.560140D+01
                66            67            68            69            70 
      1  -0.207211D+01  0.131697D+01 -0.222417D+02  0.567676D+01 -0.178066D+01
      2   0.300760D+01 -0.974970D+01  0.433679D+02 -0.562526D+01 -0.154520D+00
      3  -0.935488D+00  0.843273D+01 -0.211262D+02 -0.515037D-01  0.193518D+01
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      5   0.447285D+01 -0.509579D+01  0.945512D+01 -0.519891D+01  0.883777D+00
      6  -0.278126D+01  0.734998D+01 -0.180107D+02  0.969566D+01 -0.174632D+01
                71            72            73            74            75 
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      6   0.573954D+01 -0.307974D+01  0.101932D+01  0.463547D-01  0.973603D+00
                76            77            78            79            80 
      1   0.247492D+01 -0.471751D+01 -0.425197D+01  0.121635D+01  0.696345D+01
      2  -0.221331D+01  0.321920D+01 -0.659248D+01 -0.264248D+01 -0.396242D+00
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      5   0.214528D+01  0.315659D+01  0.279942D+01  0.673919D+01 -0.367341D+01
      6   0.169386D+01 -0.125841D+01  0.599260D+01 -0.958174D+00  0.809372D+01
                81            82            83            84            85 
      1  -0.333479D+02  0.430940D+01 -0.194038D+01 -0.207216D+01 -0.131695D+01
      2  -0.230467D+02  0.348163D+01  0.908092D+01  0.300768D+01  0.974927D+01
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      4  -0.296061D+01  0.109349D+02  0.181286D+02  0.394912D+01  0.169434D+02
      5   0.208022D+02  0.997622D+00  0.481869D+01  0.447301D+01  0.509618D+01
      6  -0.129918D+02  0.172197D+01  0.560170D+01  0.278147D+01  0.735035D+01
                86            87            88            89            90 
      1  -0.222417D+02 -0.567716D+01 -0.178076D+01 -0.691501D+00 -0.538339D+01
      2   0.433671D+02  0.562579D+01 -0.154294D+00 -0.537759D+01  0.106200D+01
      3  -0.211254D+02  0.513711D-01  0.193505D+01  0.606909D+01  0.432139D+01
      4   0.359833D+02  0.772277D+01 -0.175655D+01 -0.209773D+01  0.470634D+01
      5   0.945568D+01  0.519921D+01  0.883871D+00  0.412521D+01  0.307671D+01
      6   0.180119D+02  0.969618D+01  0.174648D+01  0.573971D+01  0.308004D+01
                91            92            93            94            95 
      1  -0.458906D+00 -0.533717D+00  0.441084D+01 -0.247495D+01 -0.471739D+01
      2  -0.218806D+01  0.753538D+00  0.124386D+01  0.221329D+01  0.321890D+01
      3   0.264697D+01 -0.219821D+00 -0.565471D+01  0.261661D+00  0.149849D+01
      4  -0.854895D+00  0.363400D+01  0.197998D+01  0.253595D+01  0.261605D+01
      5  -0.300909D+00  0.860275D+00  0.608873D+01 -0.214545D+01  0.315660D+01
      6  -0.101948D+01  0.464456D-01 -0.973400D+00  0.169393D+01  0.125798D+01
                96            97            98            99           100 
      1   0.425283D+01  0.121627D+01 -0.696257D+01 -0.333476D+02  0.944963D+01
      2   0.659288D+01 -0.264241D+01  0.396620D+00 -0.230470D+02 -0.267344D+01
      3  -0.108457D+02  0.142614D+01  0.656595D+01  0.563946D+02 -0.677619D+01
      4   0.336389D+01  0.248846D-01  0.442062D+01  0.296017D+01 -0.717416D+01
      5  -0.279986D+01  0.673907D+01  0.367296D+01  0.208020D+02 -0.127755D+01
      6   0.599265D+01  0.958111D+00  0.809318D+01  0.129899D+02  0.167094D+01
               101           102           103           104           105 
      1  -0.847345D+01 -0.608242D+01 -0.352030D+01 -0.114946D+02 -0.101339D+02
      2   0.385580D+01  0.155729D+01  0.315037D+01  0.110186D+02  0.528615D+01
      3   0.461765D+01  0.452513D+01  0.369931D+00  0.476047D+00  0.484780D+01
      4   0.382799D+01  0.769942D+00  0.989622D+01 -0.147700D+02 -0.126243D+02
      5   0.448887D-01 -0.971718D+00  0.869517D+01 -0.134577D+02 -0.164476D+02
      6   0.303313D+01  0.335680D+01 -0.531950D+01  0.169192D+02  0.161958D+02
               106           107           108           109           110 
      1   0.175026D+01 -0.135758D+02 -0.156793D+02  0.857364D+02 -0.125583D+02
      2  -0.321034D+01  0.116257D+02  0.469573D+01 -0.393272D+02  0.356060D+01
      3   0.146008D+01  0.195009D+01  0.109835D+02 -0.464092D+02  0.899769D+01
      4   0.699737D+01 -0.162244D+02 -0.133744D+02 -0.307051D+02  0.157912D+02
      5   0.658709D+01 -0.140582D+02 -0.173916D+02  0.991921D+01 -0.173671D+01
      6  -0.584629D+01  0.175078D+02  0.189772D+02 -0.697370D+01  0.123694D+01
               111           112           113           114           115 
      1   0.944290D+01 -0.475071D+01  0.585713D+01  0.315085D+01  0.285638D+02
      2  -0.420131D+01  0.844729D+00 -0.127802D+01 -0.111329D+01 -0.159185D+02
      3  -0.524159D+01  0.390598D+01 -0.457911D+01 -0.203756D+01 -0.126453D+02
      4  -0.284591D+01  0.101658D+02 -0.331984D+01 -0.169657D+01 -0.209265D+01
      5   0.957482D+01  0.771426D+01 -0.246320D+01 -0.263402D+01  0.113904D+02
      6  -0.355490D+01 -0.149628D+01  0.220968D+01  0.229204D+01 -0.455440D+01
               116           117           118           119           120 
      1  -0.234052D+01  0.557494D+01  0.857362D+02  0.125587D+02  0.944295D+01
      2   0.125172D+01 -0.436181D+01 -0.393271D+02 -0.356071D+01 -0.420137D+01
      3   0.108881D+01 -0.121313D+01 -0.464091D+02 -0.899796D+01 -0.524158D+01
      4  -0.136508D+01 -0.470734D+01  0.307061D+02  0.157916D+02  0.284610D+01
      5  -0.298550D+01  0.570401D+01  0.991946D+01  0.173689D+01  0.957478D+01
      6   0.256269D+01 -0.393700D+00  0.697383D+01  0.123704D+01  0.355494D+01
               121           122           123           124           125 
      1   0.475118D+01  0.585730D+01 -0.315073D+01  0.285637D+02  0.234083D+01
      2  -0.844778D+00 -0.127792D+01  0.111323D+01 -0.159185D+02 -0.125190D+01
      3  -0.390640D+01 -0.457938D+01  0.203750D+01 -0.126452D+02 -0.108894D+01
      4   0.101665D+02  0.332041D+01 -0.169662D+01  0.209313D+01 -0.136504D+01
      5  -0.771414D+01 -0.246327D+01  0.263407D+01  0.113901D+02  0.298539D+01
      6  -0.149624D+01 -0.220969D+01  0.229204D+01  0.455431D+01  0.256269D+01
               126           127           128           129           130 
      1   0.557473D+01  0.944940D+01  0.847378D+01 -0.608251D+01  0.352023D+01
      2  -0.436166D+01 -0.267329D+01 -0.385613D+01  0.155743D+01 -0.315004D+01
      3  -0.121307D+01 -0.677611D+01 -0.461764D+01  0.452508D+01 -0.370186D+00
      4   0.470729D+01  0.717399D+01  0.382779D+01 -0.769678D+00  0.989631D+01
      5   0.570413D+01 -0.127730D+01 -0.446056D-01 -0.971985D+00 -0.869472D+01
      6   0.393731D+00 -0.167080D+01  0.303350D+01 -0.335710D+01 -0.531947D+01
               131           132           133           134           135 
      1  -0.114953D+02  0.101343D+02  0.175016D+01  0.135762D+02 -0.156792D+02
      2   0.110196D+02 -0.528682D+01 -0.321053D+01 -0.116264D+02  0.469630D+01
      3   0.475699D+00 -0.484752D+01  0.146036D+01 -0.194972D+01  0.109829D+02
      4   0.147705D+02 -0.126243D+02 -0.699707D+01 -0.162244D+02  0.133738D+02
      5  -0.134578D+02  0.164472D+02  0.658646D+01  0.140578D+02 -0.173904D+02
      6  -0.169196D+02  0.161958D+02  0.584591D+01  0.175076D+02 -0.189767D+02
 Leave Link  716 at Thu Jul  8 19:34:35 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.118743D+03 -0.350283D-05 -0.470914D+01
      2  -0.350283D-05  0.833522D+02 -0.229985D-04
      3  -0.470914D+01 -0.229985D-04  0.760700D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.538987D+01 -0.909990D-04  0.462389D+01
      2   0.439943D-04  0.191213D+02  0.249328D-03
      3   0.342316D+02  0.389522D-03 -0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.106386D-02 -0.774096D+02 -0.892069D-03
      2  -0.155655D-02  0.275763D+02  0.255350D-03
      3   0.492683D-03  0.498333D+02  0.636719D-03
      4  -0.110447D+03 -0.142481D-02  0.597696D+02
      5  -0.941532D-03  0.610538D+02  0.119536D-02
      6   0.409105D+02 -0.973562D-04  0.378708D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    45 ND12= 1 LenFil=    1623:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106937D+02  0.424673D+01  0.578287D+01 -0.269620D+01 -0.140666D+01
      2   0.424673D+01 -0.260998D+01  0.303198D+00 -0.140666D+01 -0.457021D+01
      3   0.578287D+01  0.303198D+00  0.194494D+01  0.107708D+00  0.594197D-01
                 6             7             8             9            10 
      1   0.107708D+00  0.353862D+01  0.302089D+01  0.244543D+01  0.672288D-03
      2   0.594197D-01  0.302089D+01  0.205481D+01  0.698315D+00 -0.110141D+02
      3   0.255378D+01  0.244543D+01  0.698315D+00 -0.484628D+01 -0.114630D-03
                11            12            13            14            15 
      1  -0.110141D+02 -0.114630D-03 -0.830546D+01  0.162066D-03 -0.485533D+01
      2   0.655558D-04 -0.120868D+01  0.162066D-03 -0.147819D+01  0.923307D-05
      3  -0.120868D+01  0.120532D-04 -0.485533D+01  0.923307D-05 -0.130315D+01
                16            17            18            19            20 
      1  -0.132691D-03 -0.709236D+01 -0.128918D-03 -0.124956D+02  0.788810D+01
      2  -0.709236D+01  0.234849D-05 -0.154176D+01  0.788810D+01 -0.640077D+01
      3  -0.128918D-03 -0.154176D+01 -0.106822D-03  0.380954D+01 -0.295159D+00
                21            22            23            24            25 
      1   0.380954D+01  0.145252D+02 -0.533214D+01 -0.495987D+00  0.117201D+02
      2  -0.295159D+00 -0.533214D+01  0.725794D+01 -0.377182D+00 -0.687745D+00
      3  -0.376808D+01 -0.495987D+00 -0.377182D+00  0.136962D+01 -0.158414D+01
                26            27            28            29            30 
      1  -0.687745D+00 -0.158414D+01  0.633835D+01 -0.428368D+01 -0.747943D+01
      2   0.951989D+00  0.322007D+00 -0.428368D+01  0.521817D+01  0.832162D+00
      3   0.322007D+00  0.274304D+01 -0.747943D+01  0.832162D+00  0.464795D+01
                31            32            33            34            35 
      1  -0.799085D+01  0.831090D+01 -0.916164D+00 -0.123882D+02  0.128178D+00
      2   0.831090D+01 -0.935492D+01  0.259155D+01  0.128178D+00  0.253162D+01
      3  -0.916164D+00  0.259155D+01  0.115146D+01  0.582923D+01  0.987123D+00
                36            37            38            39            40 
      1   0.582923D+01 -0.106938D+02  0.424685D+01 -0.578276D+01 -0.269616D+01
      2   0.987123D+00  0.424685D+01  0.260996D+01  0.303328D+00  0.140658D+01
      3  -0.264956D+01 -0.578276D+01  0.303328D+00 -0.194498D+01  0.107813D+00
                41            42            43            44            45 
      1   0.140658D+01  0.107813D+00 -0.353858D+01  0.302105D+01 -0.244543D+01
      2  -0.457027D+01 -0.595150D-01  0.302105D+01 -0.205489D+01  0.697993D+00
      3  -0.595150D-01  0.255354D+01 -0.244543D+01  0.697993D+00  0.484663D+01
                46            47            48            49            50 
      1   0.124945D+02  0.788803D+01 -0.380940D+01  0.145252D+02  0.533212D+01
      2   0.788803D+01  0.640072D+01 -0.295170D+00  0.533212D+01  0.725808D+01
      3  -0.380940D+01 -0.295170D+00  0.376804D+01 -0.496020D+00  0.377141D+00
                51            52            53            54            55 
      1  -0.496020D+00 -0.117199D+02 -0.687747D+00  0.158421D+01 -0.633780D+01
      2   0.377141D+00 -0.687747D+00 -0.952021D+00  0.322181D+00 -0.428367D+01
      3   0.136979D+01  0.158421D+01  0.322181D+00 -0.274322D+01  0.747935D+01
                56            57            58            59            60 
      1  -0.428367D+01  0.747935D+01 -0.799080D+01 -0.831084D+01 -0.916050D+00
      2  -0.521817D+01  0.832294D+00 -0.831084D+01 -0.935486D+01 -0.259168D+01
      3   0.832294D+00 -0.464800D+01 -0.916050D+00 -0.259168D+01  0.115127D+01
                61            62            63            64            65 
      1   0.123881D+02  0.128287D+00 -0.582934D+01 -0.113141D+01  0.170385D+01
      2   0.128287D+00 -0.253175D+01  0.986911D+00  0.170385D+01 -0.316867D+01
      3  -0.582934D+01  0.986911D+00  0.264974D+01  0.846219D-01  0.791279D+00
                66            67            68            69            70 
      1   0.846219D-01  0.377893D+01 -0.323041D+01  0.832438D+00  0.153798D+01
      2   0.791279D+00 -0.323041D+01  0.109678D+02 -0.223743D+01 -0.382181D+00
      3  -0.746613D+00  0.832438D+00 -0.223743D+01  0.164303D+01 -0.476660D+00
                71            72            73            74            75 
      1  -0.382181D+00 -0.476660D+00  0.105828D+01 -0.100740D+00 -0.494510D+00
      2   0.826338D+00  0.132297D+01 -0.100740D+00 -0.414862D+00 -0.782164D-01
      3   0.132297D+01 -0.125884D+01 -0.494510D+00 -0.782164D-01  0.110764D+01
                76            77            78            79            80 
      1  -0.648917D+00 -0.545589D+00  0.371032D-01 -0.204484D+01 -0.309646D+00
      2  -0.545589D+00  0.665508D+00 -0.123604D+01 -0.309646D+00 -0.177498D+01
      3   0.371032D-01 -0.123604D+01 -0.187196D+01 -0.808634D+00  0.170091D+01
                81            82            83            84            85 
      1  -0.808634D+00  0.113138D+01  0.170382D+01 -0.845909D-01  0.377896D+01
      2   0.170091D+01  0.170382D+01  0.316859D+01  0.791328D+00  0.323037D+01
      3  -0.115156D+02 -0.845909D-01  0.791328D+00  0.746641D+00  0.832497D+00
                86            87            88            89            90 
      1   0.323037D+01  0.832497D+00 -0.153787D+01 -0.382088D+00  0.476679D+00
      2   0.109677D+02  0.223760D+01 -0.382088D+00 -0.826103D+00  0.132298D+01
      3   0.223760D+01  0.164310D+01  0.476679D+00  0.132298D+01  0.125892D+01
                91            92            93            94            95 
      1  -0.105826D+01 -0.100763D+00  0.494499D+00 -0.648945D+00  0.545600D+00
      2  -0.100763D+00  0.414876D+00 -0.781716D-01  0.545600D+00  0.665370D+00
      3   0.494499D+00 -0.781716D-01 -0.110762D+01  0.370943D-01  0.123606D+01
                96            97            98            99           100 
      1   0.370943D-01  0.204483D+01 -0.309648D+00  0.808624D+00  0.219471D+01
      2   0.123606D+01 -0.309648D+00  0.177490D+01  0.170064D+01 -0.126157D+01
      3  -0.187223D+01  0.808624D+00  0.170064D+01  0.115155D+02 -0.357006D+00
               101           102           103           104           105 
      1  -0.126157D+01 -0.357006D+00 -0.189808D+01  0.130680D+01  0.159397D+01
      2  -0.368226D+00 -0.736704D+00  0.130680D+01 -0.380757D+01 -0.337151D+01
      3  -0.736704D+00 -0.125436D+01  0.159397D+01 -0.337151D+01 -0.380176D+01
               106           107           108           109           110 
      1  -0.783768D+00  0.141910D+01  0.101348D+01  0.136139D+02 -0.268560D+01
      2   0.141910D+01 -0.436530D+01 -0.368266D+01 -0.268560D+01  0.169595D+01
      3   0.101348D+01 -0.368266D+01 -0.456169D+01  0.160354D+01 -0.212340D+00
               111           112           113           114           115 
      1   0.160354D+01 -0.917365D+00  0.131106D+01  0.126853D+01  0.481007D+01
      2  -0.212340D+00  0.131106D+01 -0.419215D+00 -0.543732D+00  0.357456D+00
      3   0.117187D+01  0.126853D+01 -0.543732D+00 -0.392404D+00  0.153400D+01
               116           117           118           119           120 
      1   0.357456D+00  0.153400D+01 -0.136139D+02 -0.268569D+01 -0.160358D+01
      2  -0.587799D+00 -0.577519D+00 -0.268569D+01 -0.169598D+01 -0.212373D+00
      3  -0.577519D+00  0.556819D+00 -0.160358D+01 -0.212373D+00 -0.117185D+01
               121           122           123           124           125 
      1  -0.917479D+00 -0.131115D+01  0.126850D+01 -0.481012D+01  0.357398D+00
      2  -0.131115D+01 -0.419305D+00  0.543748D+00  0.357398D+00  0.587807D+00
      3   0.126850D+01  0.543748D+00 -0.392415D+00 -0.153395D+01 -0.577500D+00
               126           127           128           129           130 
      1  -0.153395D+01 -0.219467D+01 -0.126156D+01  0.356978D+00 -0.189806D+01
      2  -0.577500D+00 -0.126156D+01  0.368319D+00 -0.736780D+00 -0.130682D+01
      3  -0.556840D+00  0.356978D+00 -0.736780D+00  0.125440D+01  0.159390D+01
               131           132           133           134           135 
      1  -0.130682D+01  0.159390D+01  0.783754D+00  0.141906D+01 -0.101337D+01
      2  -0.380776D+01  0.337156D+01  0.141906D+01  0.436538D+01 -0.368259D+01
      3   0.337156D+01 -0.380169D+01 -0.101337D+01 -0.368259D+01  0.456148D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.145338D+01 -0.416798D+01 -0.387907D+01 -0.568546D+00 -0.115791D+02
      2   0.120174D+01 -0.171383D+00  0.259671D+01 -0.520220D+01  0.721627D+01
      3   0.380346D+01  0.407736D+01  0.551657D+01  0.660341D+01  0.324521D+01
                 6             7             8             9            10 
      1  -0.966730D+01 -0.241376D+01  0.887687D+01  0.129633D+02 -0.187163D-03
      2   0.592737D+01 -0.244815D+01 -0.113214D+01 -0.969560D+01  0.651676D+01
      3   0.472799D+00  0.406628D+01 -0.155824D+01 -0.111991D+01  0.507077D-03
                11            12            13            14            15 
      1   0.446996D+00  0.171806D-04 -0.109948D+02  0.323144D-04 -0.269380D+01
      2  -0.187532D-04  0.115305D+02  0.000000D+00 -0.394753D+01 -0.625299D-04
      3  -0.193626D+02 -0.100615D-04  0.196381D+02  0.799884D-04 -0.870055D+00
                16            17            18            19            20 
      1  -0.152008D-03  0.707577D+00  0.738126D-05 -0.350768D+00  0.412846D+01
      2  -0.241089D+02 -0.150854D-03  0.246377D+01  0.235257D+01  0.311443D+01
      3  -0.221438D-04 -0.418193D+01 -0.181891D-05  0.971174D+00  0.955948D+01
                21            22            23            24            25 
      1  -0.681817D+01  0.303565D+01 -0.888318D+01 -0.747583D+00 -0.102196D+02
      2  -0.667769D+01 -0.337895D+00 -0.426730D+01  0.473824D+01 -0.176938D+02
      3  -0.773766D+01  0.210918D+02 -0.203745D+02  0.339112D+01  0.158476D+00
                26            27            28            29            30 
      1   0.501402D+01  0.551381D+01 -0.656396D+01 -0.388575D+01  0.631076D+01
      2   0.217075D+01  0.602489D+01 -0.173980D+02  0.483928D+01  0.123197D+02
      3  -0.196246D-01  0.610797D+01  0.109765D+02 -0.158219D+02  0.105531D+01
                31            32            33            34            35 
      1  -0.268199D+01  0.362050D+01 -0.381890D+01  0.221698D+01  0.447868D+01
      2  -0.259046D+01  0.988696D+01  0.282390D+01  0.201791D+01  0.766496D+01
      3  -0.979084D+01  0.166703D+02 -0.976112D+01  0.803438D+01 -0.717197D+01
                36            37            38            39            40 
      1   0.108120D+01 -0.145338D+01 -0.416816D+01  0.387899D+01 -0.568706D+00
      2  -0.441590D+01  0.120166D+01  0.171149D+00  0.259689D+01  0.520187D+01
      3  -0.932347D+01 -0.380350D+01  0.407763D+01 -0.551642D+01  0.660360D+01
                41            42            43            44            45 
      1   0.115791D+02 -0.966662D+01  0.241366D+01  0.887761D+01 -0.129635D+02
      2   0.721636D+01 -0.592686D+01 -0.244770D+01  0.113295D+01 -0.969618D+01
      3  -0.324511D+01  0.472612D+00 -0.406610D+01 -0.155827D+01  0.111954D+01
                46            47            48            49            50 
      1   0.351087D+00  0.412824D+01  0.681822D+01  0.303552D+01  0.888319D+01
      2   0.235281D+01 -0.311410D+01 -0.667786D+01  0.338334D+00 -0.426714D+01
      3  -0.971776D+00  0.955893D+01  0.773755D+01  0.210916D+02  0.203742D+02
                51            52            53            54            55 
      1  -0.747268D+00  0.102197D+02  0.501431D+01 -0.551375D+01  0.656385D+01
      2  -0.473866D+01 -0.176942D+02 -0.217122D+01  0.602527D+01 -0.173980D+02
      3   0.339145D+01 -0.158494D+00 -0.191736D-01 -0.610776D+01 -0.109764D+02
                56            57            58            59            60 
      1  -0.388551D+01 -0.631088D+01 -0.268179D+01 -0.362056D+01 -0.381900D+01
      2  -0.483984D+01  0.123199D+02  0.258999D+01  0.988707D+01 -0.282348D+01
      3  -0.158219D+02 -0.105498D+01 -0.979065D+01 -0.166698D+02 -0.976160D+01
                61            62            63            64            65 
      1  -0.221708D+01  0.447869D+01 -0.108105D+01 -0.189170D+01  0.382440D+01
      2   0.201857D+01 -0.766446D+01 -0.441666D+01 -0.296787D+01  0.125239D+01
      3  -0.803425D+01 -0.717255D+01  0.932318D+01  0.180033D+01 -0.340682D+01
                66            67            68            69            70 
      1  -0.519991D+00  0.279670D+01 -0.122118D+02 -0.166596D+01  0.275645D+00
      2   0.143845D+01  0.213152D+01 -0.139678D+01 -0.148650D+01  0.539510D-01
      3   0.101730D+01  0.285683D+01  0.908854D+01 -0.212369D+01  0.961374D+00
                71            72            73            74            75 
      1  -0.232313D+01  0.338284D+00  0.155613D+01 -0.470141D+00 -0.120955D+01
      2  -0.220540D+01  0.142051D+01  0.300458D+01 -0.602434D+00 -0.600086D+00
      3   0.373210D+00  0.988340D+00 -0.101676D+01 -0.175996D+01  0.134712D+00
                76            77            78            79            80 
      1   0.175113D+00  0.135012D-01  0.362434D+01  0.617096D+00  0.237546D+01
      2  -0.995221D+00  0.102708D+01  0.318251D+01 -0.417846D+01 -0.264587D+01
      3  -0.564901D+00  0.334356D-01 -0.169855D+01 -0.300086D+01 -0.194720D+01
                81            82            83            84            85 
      1   0.126043D+02  0.189167D+01  0.382432D+01  0.520078D+00  0.279664D+01
      2   0.138453D+02 -0.296778D+01 -0.125231D+01  0.143843D+01 -0.213151D+01
      3   0.133873D+00 -0.180034D+01 -0.340679D+01 -0.101734D+01  0.285688D+01
                86            87            88            89            90 
      1   0.122118D+02 -0.166569D+01 -0.275585D+00 -0.232278D+01 -0.338379D+00
      2  -0.139662D+01  0.148648D+01  0.539320D-01  0.220529D+01  0.142058D+01
      3  -0.908844D+01 -0.212382D+01 -0.961282D+00  0.373057D+00 -0.988343D+00
                91            92            93            94            95 
      1  -0.155614D+01 -0.470189D+00  0.120951D+01  0.175095D+00 -0.136972D-01
      2   0.300450D+01  0.602529D+00 -0.600024D+00  0.995342D+00  0.102708D+01
      3   0.101684D+01 -0.175994D+01 -0.134781D+00 -0.564945D+00 -0.332739D-01
                96            97            98            99           100 
      1   0.362472D+01 -0.617050D+00  0.237582D+01 -0.126041D+02  0.123109D+01
      2  -0.318286D+01 -0.417847D+01  0.264549D+01  0.138451D+02 -0.121033D+01
      3  -0.169861D+01  0.300072D+01 -0.194711D+01 -0.133579D+00  0.201105D+01
               101           102           103           104           105 
      1   0.368641D-01 -0.233927D+01  0.393124D+01 -0.134950D+01 -0.519633D+01
      2  -0.240444D+01 -0.266178D+01  0.823197D+00 -0.790310D+01 -0.926675D+01
      3   0.158569D+01  0.269621D+01 -0.876453D+00  0.892795D+01  0.860123D+01
               106           107           108           109           110 
      1  -0.162657D+01  0.182378D+01 -0.466875D+01  0.313932D+01  0.310817D+00
      2   0.150551D+01 -0.104329D+02 -0.108988D+02  0.105790D+02 -0.301776D+01
      3  -0.157597D+01  0.115278D+02  0.100486D+02 -0.527022D+01 -0.539022D+01
               111           112           113           114           115 
      1   0.121695D+01 -0.107260D-01  0.301500D+00 -0.204625D+00  0.187520D+01
      2   0.684193D+01  0.358561D+01 -0.258952D+01 -0.120571D+01  0.311323D+01
      3  -0.810849D+00  0.545238D+00 -0.503889D+00  0.373923D+00 -0.640983D+01
               116           117           118           119           120 
      1   0.237361D+00 -0.136557D+00 -0.313933D+01  0.310799D+00 -0.121699D+01
      2  -0.624776D+00  0.366744D+01  0.105789D+02  0.301787D+01  0.684188D+01
      3   0.886955D+00  0.167756D+01  0.527021D+01 -0.539021D+01  0.810824D+00
               121           122           123           124           125 
      1  -0.106810D-01 -0.301465D+00 -0.204658D+00 -0.187514D+01  0.237325D+00
      2  -0.358546D+01 -0.258953D+01  0.120578D+01  0.311301D+01  0.624706D+00
      3   0.545053D+00  0.503663D+00  0.373994D+00  0.640971D+01  0.887035D+00
               126           127           128           129           130 
      1   0.136549D+00 -0.123107D+01  0.368277D-01  0.233939D+01  0.393112D+01
      2   0.366750D+01 -0.121038D+01  0.240463D+01 -0.266186D+01 -0.823105D+00
      3  -0.167755D+01 -0.201111D+01  0.158597D+01 -0.269643D+01 -0.876435D+00
               131           132           133           134           135 
      1   0.134963D+01 -0.519641D+01  0.162665D+01  0.182371D+01  0.466865D+01
      2  -0.790330D+01  0.926658D+01  0.150530D+01  0.104328D+02 -0.108983D+02
      3  -0.892847D+01  0.860145D+01  0.157587D+01  0.115280D+02 -0.100485D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.356389D+01  0.106067D+02  0.628922D+01  0.363315D+01  0.446344D+01
      2  -0.557520D+01 -0.158744D+02 -0.108369D+02 -0.648232D+01 -0.210725D+02
      3   0.913909D+01  0.526762D+01  0.454769D+01  0.284917D+01  0.166091D+02
      4   0.355960D+01 -0.745624D+01  0.241032D+01 -0.227696D+01 -0.229615D+02
      5   0.218301D+02  0.704168D+01  0.121040D+02 -0.688097D-03 -0.381041D+01
      6   0.143602D+02 -0.289476D+01  0.167852D+01 -0.381104D+01 -0.378906D+01
                 6             7             8             9            10 
      1  -0.543051D+01 -0.570397D+01 -0.448128D+00  0.187498D+02  0.264322D+02
      2  -0.550981D+01 -0.195597D+01  0.558253D+01  0.129139D+02 -0.455200D+01
      3   0.109403D+02  0.765994D+01 -0.513440D+01 -0.316637D+02 -0.218802D+02
      4  -0.411585D+01  0.960871D+01  0.252180D+01  0.208710D+01 -0.526396D-03
      5   0.271626D+01  0.152265D+02  0.427479D+01 -0.366998D+01 -0.447413D+02
      6   0.439265D+01  0.694047D+01  0.678954D+01  0.172383D+01  0.541349D-03
                11            12            13            14            15 
      1  -0.901219D-04 -0.861042D+00 -0.157676D-03  0.244628D+01 -0.166800D-04
      2   0.112398D-03  0.639121D+01  0.219250D-03  0.469730D+01  0.152947D-03
      3  -0.222760D-04 -0.553017D+01 -0.615739D-04 -0.714358D+01 -0.136267D-03
      4   0.221463D+02  0.140775D-03 -0.536518D+01 -0.152819D-04  0.309001D+01
      5   0.196878D-03  0.436365D+01  0.269174D-03 -0.939860D+01  0.360952D-04
      6  -0.787134D+01 -0.265119D-04 -0.108479D+02  0.295575D-03 -0.374128D+01
                16            17            18            19            20 
      1   0.121249D+02  0.169423D-04 -0.570462D+01 -0.290103D+02  0.554279D+01
      2  -0.984199D+00  0.325841D-03 -0.179501D+00  0.110277D+02  0.958469D+01
      3  -0.111407D+02 -0.342783D-03  0.588413D+01  0.179826D+02 -0.151275D+02
      4   0.226346D-03  0.194798D+01 -0.173177D-04  0.256569D+02 -0.314528D+02
      5  -0.248230D+02 -0.104191D-03 -0.520526D+01  0.371512D+02 -0.733387D+01
      6  -0.101866D-03 -0.761429D+01 -0.251455D-03 -0.595697D+01  0.126753D+01
                21            22            23            24            25 
      1   0.149804D+02  0.231263D+02 -0.123041D+02 -0.454794D+01  0.176677D+02
      2  -0.138417D+02 -0.897645D+01  0.554901D+00  0.923889D+01 -0.695643D+01
      3  -0.113871D+01 -0.141499D+02  0.117492D+02 -0.469095D+01 -0.107113D+02
      4  -0.355365D+01 -0.203943D+02  0.350024D+02 -0.365594D+01 -0.200904D+02
      5  -0.234733D+02 -0.192430D+02  0.328692D+01  0.140500D+02 -0.637131D+01
      6   0.550079D+01  0.602513D+01 -0.355286D+01  0.429849D+01  0.556336D+01
                26            27            28            29            30 
      1   0.105781D+01 -0.154214D+02 -0.516668D+00 -0.499965D+01 -0.296778D+02
      2  -0.782584D+01  0.411075D+01 -0.205062D+01 -0.428877D+01  0.214451D+02
      3   0.676804D+01  0.113106D+02  0.256729D+01  0.928842D+01  0.823261D+01
      4   0.448026D+01  0.916960D+00 -0.111728D+02  0.281299D+02  0.890520D+01
      5  -0.384580D+00  0.998918D+01 -0.483037D+02  0.687652D+01  0.280578D+02
      6   0.694785D+01 -0.621561D+01  0.100028D+02 -0.435536D+01 -0.359689D+01
                31            32            33            34            35 
      1  -0.551009D+01  0.114302D+02  0.110923D+02 -0.462059D+02  0.136923D+02
      2  -0.131804D+02  0.174101D+02 -0.647478D+01  0.328995D+02 -0.112084D+02
      3   0.186905D+02 -0.288403D+02 -0.461757D+01  0.133064D+02 -0.248381D+01
      4   0.451837D+02 -0.445948D+02  0.710625D+01  0.619909D+01  0.729056D+01
      5  -0.990367D+00  0.853129D+01  0.356461D+01  0.373271D+02  0.842578D+00
      6  -0.137330D+01 -0.118126D+02 -0.296203D+01 -0.603675D+01 -0.215770D+01
                36            37            38            39            40 
      1   0.230024D+02 -0.356390D+01 -0.106067D+02  0.628875D+01 -0.363297D+01
      2  -0.206409D+02 -0.557463D+01  0.158748D+02 -0.108365D+02  0.648265D+01
      3  -0.236147D+01  0.913852D+01 -0.526810D+01  0.454777D+01 -0.284968D+01
      4   0.222971D+01 -0.355986D+01 -0.745630D+01 -0.241070D+01 -0.227675D+01
      5  -0.182622D+02  0.218302D+02 -0.704213D+01  0.121038D+02  0.249937D-03
      6  -0.865417D+01 -0.143604D+02 -0.289418D+01 -0.167897D+01 -0.381060D+01
                41            42            43            44            45 
      1   0.446349D+01  0.542975D+01 -0.570433D+01  0.447423D+00  0.187507D+02
      2  -0.210728D+02  0.550878D+01 -0.195534D+01 -0.558395D+01  0.129141D+02
      3   0.166093D+02 -0.109385D+02  0.765967D+01  0.513652D+01 -0.316648D+02
      4   0.229621D+02 -0.411545D+01 -0.960939D+01  0.252247D+01 -0.208667D+01
      5  -0.380991D+01 -0.271623D+01  0.152265D+02 -0.427443D+01 -0.367069D+01
      6   0.378803D+01  0.439297D+01 -0.694074D+01  0.678924D+01 -0.172209D+01
                46            47            48            49            50 
      1  -0.290091D+02 -0.554294D+01  0.149803D+02 -0.231264D+02 -0.123043D+02
      2   0.110269D+02 -0.958445D+01 -0.138415D+02  0.897618D+01  0.554686D+00
      3   0.179822D+02  0.151274D+02 -0.113882D+01  0.141502D+02  0.117496D+02
      4  -0.256559D+02 -0.314526D+02  0.355385D+01 -0.203949D+02 -0.350027D+02
      5   0.371504D+02  0.733407D+01 -0.234730D+02  0.192431D+02  0.328707D+01
      6   0.595633D+01  0.126712D+01 -0.550098D+01  0.602504D+01  0.355227D+01
                51            52            53            54            55 
      1   0.454867D+01  0.176673D+02 -0.105729D+01 -0.154218D+02 -0.517665D+00
      2  -0.923934D+01 -0.695588D+01  0.782549D+01  0.411060D+01 -0.205001D+01
      3   0.469067D+01 -0.107114D+02 -0.676820D+01  0.113113D+02  0.256767D+01
      4  -0.365574D+01  0.200905D+02  0.448000D+01 -0.917495D+00  0.111720D+02
      5  -0.140505D+02 -0.637089D+01  0.384165D+00  0.998951D+01 -0.483031D+02
      6   0.429827D+01 -0.556322D+01  0.694822D+01  0.621570D+01 -0.100028D+02
                56            57            58            59            60 
      1   0.499936D+01 -0.296773D+02  0.550973D+01  0.114306D+02 -0.110933D+02
      2   0.428881D+01  0.214447D+02  0.131803D+02  0.174095D+02  0.647589D+01
      3  -0.928817D+01  0.823254D+01 -0.186900D+02 -0.288401D+02  0.461740D+01
      4   0.281297D+02 -0.890582D+01  0.451831D+02  0.445945D+02  0.710654D+01
      5  -0.687709D+01  0.280578D+02  0.989705D+00  0.853165D+01 -0.356365D+01
      6  -0.435549D+01  0.359740D+01 -0.137304D+01  0.118135D+02 -0.296193D+01
                61            62            63            64            65 
      1  -0.462055D+02 -0.136931D+02  0.230025D+02  0.430946D+01  0.194035D+01
      2   0.328993D+02  0.112095D+02 -0.206412D+02  0.348176D+01 -0.908129D+01
      3   0.133062D+02  0.248362D+01 -0.236127D+01 -0.779121D+01  0.714093D+01
      4  -0.619985D+01  0.729071D+01 -0.222862D+01 -0.109351D+02  0.181291D+02
      5   0.373276D+02 -0.841520D+00 -0.182631D+02  0.997432D+00 -0.481844D+01
      6   0.603736D+01 -0.215749D+01  0.865359D+01 -0.172174D+01  0.560140D+01
                66            67            68            69            70 
      1  -0.207211D+01  0.131697D+01 -0.222417D+02  0.567676D+01 -0.178066D+01
      2   0.300760D+01 -0.974970D+01  0.433679D+02 -0.562526D+01 -0.154520D+00
      3  -0.935488D+00  0.843273D+01 -0.211262D+02 -0.515037D-01  0.193518D+01
      4  -0.394887D+01  0.169437D+02 -0.359839D+02  0.772223D+01  0.175698D+01
      5   0.447285D+01 -0.509579D+01  0.945512D+01 -0.519891D+01  0.883777D+00
      6  -0.278126D+01  0.734998D+01 -0.180107D+02  0.969566D+01 -0.174632D+01
                71            72            73            74            75 
      1   0.691047D+00 -0.538323D+01 -0.458925D+00  0.533518D+00  0.441100D+01
      2   0.537850D+01  0.106205D+01 -0.218811D+01 -0.753564D+00  0.124382D+01
      3  -0.606955D+01  0.432118D+01  0.264704D+01  0.220046D+00 -0.565482D+01
      4  -0.209852D+01 -0.470626D+01  0.854860D+00  0.363409D+01 -0.198007D+01
      5  -0.412507D+01  0.307644D+01 -0.300907D+00 -0.860372D+00  0.608870D+01
      6   0.573954D+01 -0.307974D+01  0.101932D+01  0.463547D-01  0.973603D+00
                76            77            78            79            80 
      1   0.247492D+01 -0.471751D+01 -0.425197D+01  0.121635D+01  0.696345D+01
      2  -0.221331D+01  0.321920D+01 -0.659248D+01 -0.264248D+01 -0.396242D+00
      3  -0.261612D+00  0.149831D+01  0.108444D+02  0.142613D+01 -0.656720D+01
      4   0.253594D+01 -0.261643D+01  0.336387D+01 -0.250150D-01  0.442075D+01
      5   0.214528D+01  0.315659D+01  0.279942D+01  0.673919D+01 -0.367341D+01
      6   0.169386D+01 -0.125841D+01  0.599260D+01 -0.958174D+00  0.809372D+01
                81            82            83            84            85 
      1  -0.333479D+02  0.430940D+01 -0.194038D+01 -0.207216D+01 -0.131695D+01
      2  -0.230467D+02  0.348163D+01  0.908092D+01  0.300768D+01  0.974927D+01
      3   0.563946D+02 -0.779103D+01 -0.714054D+01 -0.935518D+00 -0.843233D+01
      4  -0.296061D+01  0.109349D+02  0.181286D+02  0.394912D+01  0.169434D+02
      5   0.208022D+02  0.997622D+00  0.481869D+01  0.447301D+01  0.509618D+01
      6  -0.129918D+02  0.172197D+01  0.560170D+01  0.278147D+01  0.735035D+01
                86            87            88            89            90 
      1  -0.222417D+02 -0.567716D+01 -0.178076D+01 -0.691501D+00 -0.538339D+01
      2   0.433671D+02  0.562579D+01 -0.154294D+00 -0.537759D+01  0.106200D+01
      3  -0.211254D+02  0.513711D-01  0.193505D+01  0.606909D+01  0.432139D+01
      4   0.359833D+02  0.772277D+01 -0.175655D+01 -0.209773D+01  0.470634D+01
      5   0.945568D+01  0.519921D+01  0.883871D+00  0.412521D+01  0.307671D+01
      6   0.180119D+02  0.969618D+01  0.174648D+01  0.573971D+01  0.308004D+01
                91            92            93            94            95 
      1  -0.458906D+00 -0.533717D+00  0.441084D+01 -0.247495D+01 -0.471739D+01
      2  -0.218806D+01  0.753538D+00  0.124386D+01  0.221329D+01  0.321890D+01
      3   0.264697D+01 -0.219821D+00 -0.565471D+01  0.261661D+00  0.149849D+01
      4  -0.854895D+00  0.363400D+01  0.197998D+01  0.253595D+01  0.261605D+01
      5  -0.300909D+00  0.860275D+00  0.608873D+01 -0.214545D+01  0.315660D+01
      6  -0.101948D+01  0.464456D-01 -0.973400D+00  0.169393D+01  0.125798D+01
                96            97            98            99           100 
      1   0.425283D+01  0.121627D+01 -0.696257D+01 -0.333476D+02  0.944963D+01
      2   0.659288D+01 -0.264241D+01  0.396620D+00 -0.230470D+02 -0.267344D+01
      3  -0.108457D+02  0.142614D+01  0.656595D+01  0.563946D+02 -0.677619D+01
      4   0.336389D+01  0.248846D-01  0.442062D+01  0.296017D+01 -0.717416D+01
      5  -0.279986D+01  0.673907D+01  0.367296D+01  0.208020D+02 -0.127755D+01
      6   0.599265D+01  0.958111D+00  0.809318D+01  0.129899D+02  0.167094D+01
               101           102           103           104           105 
      1  -0.847345D+01 -0.608242D+01 -0.352030D+01 -0.114946D+02 -0.101339D+02
      2   0.385580D+01  0.155729D+01  0.315037D+01  0.110186D+02  0.528615D+01
      3   0.461765D+01  0.452513D+01  0.369931D+00  0.476047D+00  0.484780D+01
      4   0.382799D+01  0.769942D+00  0.989622D+01 -0.147700D+02 -0.126243D+02
      5   0.448887D-01 -0.971718D+00  0.869517D+01 -0.134577D+02 -0.164476D+02
      6   0.303313D+01  0.335680D+01 -0.531950D+01  0.169192D+02  0.161958D+02
               106           107           108           109           110 
      1   0.175026D+01 -0.135758D+02 -0.156793D+02  0.857364D+02 -0.125583D+02
      2  -0.321034D+01  0.116257D+02  0.469573D+01 -0.393272D+02  0.356060D+01
      3   0.146008D+01  0.195009D+01  0.109835D+02 -0.464092D+02  0.899769D+01
      4   0.699737D+01 -0.162244D+02 -0.133744D+02 -0.307051D+02  0.157912D+02
      5   0.658709D+01 -0.140582D+02 -0.173916D+02  0.991921D+01 -0.173671D+01
      6  -0.584629D+01  0.175078D+02  0.189772D+02 -0.697370D+01  0.123694D+01
               111           112           113           114           115 
      1   0.944290D+01 -0.475071D+01  0.585713D+01  0.315085D+01  0.285638D+02
      2  -0.420131D+01  0.844729D+00 -0.127802D+01 -0.111329D+01 -0.159185D+02
      3  -0.524159D+01  0.390598D+01 -0.457911D+01 -0.203756D+01 -0.126453D+02
      4  -0.284591D+01  0.101658D+02 -0.331984D+01 -0.169657D+01 -0.209265D+01
      5   0.957482D+01  0.771426D+01 -0.246320D+01 -0.263402D+01  0.113904D+02
      6  -0.355490D+01 -0.149628D+01  0.220968D+01  0.229204D+01 -0.455440D+01
               116           117           118           119           120 
      1  -0.234052D+01  0.557494D+01  0.857362D+02  0.125587D+02  0.944295D+01
      2   0.125172D+01 -0.436181D+01 -0.393271D+02 -0.356071D+01 -0.420137D+01
      3   0.108881D+01 -0.121313D+01 -0.464091D+02 -0.899796D+01 -0.524158D+01
      4  -0.136508D+01 -0.470734D+01  0.307061D+02  0.157916D+02  0.284610D+01
      5  -0.298550D+01  0.570401D+01  0.991946D+01  0.173689D+01  0.957478D+01
      6   0.256269D+01 -0.393700D+00  0.697383D+01  0.123704D+01  0.355494D+01
               121           122           123           124           125 
      1   0.475118D+01  0.585730D+01 -0.315073D+01  0.285637D+02  0.234083D+01
      2  -0.844778D+00 -0.127792D+01  0.111323D+01 -0.159185D+02 -0.125190D+01
      3  -0.390640D+01 -0.457938D+01  0.203750D+01 -0.126452D+02 -0.108894D+01
      4   0.101665D+02  0.332041D+01 -0.169662D+01  0.209313D+01 -0.136504D+01
      5  -0.771414D+01 -0.246327D+01  0.263407D+01  0.113901D+02  0.298539D+01
      6  -0.149624D+01 -0.220969D+01  0.229204D+01  0.455431D+01  0.256269D+01
               126           127           128           129           130 
      1   0.557473D+01  0.944940D+01  0.847378D+01 -0.608251D+01  0.352023D+01
      2  -0.436166D+01 -0.267329D+01 -0.385613D+01  0.155743D+01 -0.315004D+01
      3  -0.121307D+01 -0.677611D+01 -0.461764D+01  0.452508D+01 -0.370186D+00
      4   0.470729D+01  0.717399D+01  0.382779D+01 -0.769678D+00  0.989631D+01
      5   0.570413D+01 -0.127730D+01 -0.446056D-01 -0.971985D+00 -0.869472D+01
      6   0.393731D+00 -0.167080D+01  0.303350D+01 -0.335710D+01 -0.531947D+01
               131           132           133           134           135 
      1  -0.114953D+02  0.101343D+02  0.175016D+01  0.135762D+02 -0.156792D+02
      2   0.110196D+02 -0.528682D+01 -0.321053D+01 -0.116264D+02  0.469630D+01
      3   0.475699D+00 -0.484752D+01  0.146036D+01 -0.194972D+01  0.109829D+02
      4   0.147705D+02 -0.126243D+02 -0.699707D+01 -0.162244D+02  0.133738D+02
      5  -0.134578D+02  0.164472D+02  0.658646D+01  0.140578D+02 -0.173904D+02
      6  -0.169196D+02  0.161958D+02  0.584591D+01  0.175076D+02 -0.189767D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.191962D+00      0.487918D+00      0.162752D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162341D+02      0.180628D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.764922D+02      0.113350D+02      0.126119D+02
   zx        -0.363271D+01     -0.538312D+00     -0.598953D+00
   zy        -0.172710D-04     -0.255930D-05     -0.284760D-05
   zz         0.698520D+02      0.103510D+02      0.115170D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.927216D+02      0.137399D+02      0.152877D+02
   aniso      0.403702D+02      0.598225D+01      0.665615D+01
   xx         0.118743D+03      0.175958D+02      0.195780D+02
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.833522D+02      0.123515D+02      0.137429D+02
   zx        -0.470914D+01     -0.697822D+00     -0.776432D+00
   zy        -0.229985D-04     -0.340802D-05     -0.379193D-05
   zz         0.760700D+02      0.112724D+02      0.125422D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.87101396         -1.89800546          1.71687623
     6          0.00001414         -0.00000484          0.66730765
     6          2.55746347         -0.05110177         -0.25689623
     6          4.29158929          0.87118401         -1.78401959
     6         -1.87094092          1.89795248          1.71702826
     6         -2.55748337          0.05112294         -0.25677291
     6         -4.29166176         -0.87113989         -1.78384947
     1         -2.56419996          1.59212247          3.62305156
     1         -1.63317316          3.86513141          1.18917404
     1          2.56435890         -1.59224144          3.62287838
     1          1.63322083         -3.86516271          1.18895558
     1          3.86949091          2.41531064         -3.05971705
     1          6.19333457          0.11503323         -1.81151500
     1         -6.19341214         -0.11500020         -1.81126572
     1         -3.86959066         -2.41523067         -3.05960164

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.191962D+00      0.487918D+00      0.162752D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.191962D+00      0.487918D+00      0.162752D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.852990D+02      0.126400D+02      0.140639D+02
   aniso      0.373661D+02      0.553708D+01      0.616084D+01
   xx         0.109553D+03      0.162340D+02      0.180628D+02
   yx         0.363367D+01      0.538454D+00      0.599111D+00
   yy         0.698521D+02      0.103510D+02      0.115171D+02
   zx        -0.787298D-03     -0.116666D-03     -0.129808D-03
   zy        -0.993721D-04     -0.147254D-04     -0.163843D-04
   zz         0.764922D+02      0.113350D+02      0.126119D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.927216D+02      0.137399D+02      0.152877D+02
   aniso      0.403702D+02      0.598225D+01      0.665615D+01
   xx         0.118742D+03      0.175958D+02      0.195780D+02
   yx         0.471016D+01      0.697974D+00      0.776601D+00
   yy         0.760702D+02      0.112724D+02      0.125423D+02
   zx        -0.832771D-03     -0.123404D-03     -0.137305D-03
   zy        -0.122341D-03     -0.181291D-04     -0.201714D-04
   zz         0.833522D+02      0.123515D+02      0.137429D+02

 ----------------------------------------------------------------------
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 THE PROBLEM WITH THE LADDER OF SUCCESS IS YOU CAN'T
 CLIMB IT WHILE YOU'RE TWIDDLING YOUR THUMBS.
 Job cpu time:       0 days  3 hours 12 minutes 33.5 seconds.
 Elapsed time:       0 days  0 hours 12 minutes  4.0 seconds.
 File lengths (MBytes):  RWF=    216 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 19:34:36 2021.
